(1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol

C16H26O — CID 67787792

IUPAC(1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol
SMILESCC1=CCC(CC=C2CCCC[C@H]2O)C1(C)C
InChIInChI=1S/C16H26O/c1-12-8-10-14(16(12,2)3)11-9-13-6-4-5-7-15(13)17/h8-9,14-15,17H,4-7,10-11H2,1-3H3/t14?,15-/m1/s1
InChIKeyVFMDUKHJSHUGKZ-YSSOQSIOSA-N
MW234.38 g/mol
LogP4.23
Rot. Bonds2

About (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol

(1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol (PubChem CID 67787792) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol
PubChem CID67787792
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol
SMILESCC1=CCC(CC=C2CCCC[C@H]2O)C1(C)C
InChIInChI=1S/C16H26O/c1-12-8-10-14(16(12,2)3)11-9-13-6-4-5-7-15(13)17/h8-9,14-15,17H,4-7,10-11H2,1-3H3/t14?,15-/m1/s1
InChIKeyVFMDUKHJSHUGKZ-YSSOQSIOSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Carveol
CID 7438
Verbenol
CID 61126
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
alpha-CAMPHOLENOL
CID 61284
p-Menth-1-en-3-ol
CID 10282
beta-Nootkatol
CID 182645
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
(+)-cis-Carveol
CID 443177
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
cis-Piperitol
CID 85567
Isophorol
CID 79016

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol?
The IUPAC name of (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol (CID 67787792) is (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol.
What is the SMILES notation for (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol?
The canonical SMILES for (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol is CC1=CCC(CC=C2CCCC[C@H]2O)C1(C)C.
What is the InChIKey of (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol?
The InChIKey is VFMDUKHJSHUGKZ-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H26O/c1-12-8-10-14(16(12,2)3)11-9-13-6-4-5-7-15(13)17/h8-9,14-15,17H,4-7,10-11H2,1-3H3/t14?,15-/m1/s1.
What are the key properties of (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol?
(1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclohexan-1-ol is sourced from PubChem (CID 67787792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).