dihydrocarveol   Click here for help

GtoPdb Ligand ID: 6415

Synonyms: neodihydrocarveol
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 20.23
Molecular weight 154.14
XLogP 2.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=C)C1CCC(C(C1)O)C
Isomeric SMILES CC(=C)C1CCC(C(C1)O)C
InChI InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3
InChI Key KRCZYMFUWVJCLI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
Synonyms Click here for help
neodihydrocarveol
Database Links Click here for help
CAS Registry No. 619-01-2 (source: SciFinder)
GtoPdb PubChem SID 178103031
PubChem CID 12072
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UniChem Connectivity Search for chemical match using the InChIKey KRCZYMFUWVJCLI-UHFFFAOYSA-N