2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol

C15H22O — CID 82254305

IUPAC2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol
SMILESCC1=C(C#CC2CCCCC2O)CCCC1
InChIInChI=1S/C15H22O/c1-12-6-2-3-7-13(12)10-11-14-8-4-5-9-15(14)16/h14-16H,2-9H2,1H3
InChIKeyUUXLTJMZQAGHTA-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.43
Rot. Bonds

About 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol

2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol (PubChem CID 82254305) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol
PubChem CID82254305
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol
SMILESCC1=C(C#CC2CCCCC2O)CCCC1
InChIInChI=1S/C15H22O/c1-12-6-2-3-7-13(12)10-11-14-8-4-5-9-15(14)16/h14-16H,2-9H2,1H3
InChIKeyUUXLTJMZQAGHTA-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-(2-thiophen-2-ylethynyl)cyclohexan-1-ol
CID 126847481
2-pent-1-ynylcyclohexan-1-ol
CID 102275152
cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
CID 130905013
(1R)-2-(2-trimethylsilylethynyl)cyclopentan-1-ol
CID 59467082
2-hydroxycyclohexane-1-carbonitrile
CID 543100
cis-(1S,2R)-2-ethynylcyclohexan-1-ol
CID 11469076
bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
CID 25004234
trans-(1R,2R)-2-[2-[dimethyl(phenyl)silyl]ethynyl]cyclopentan-1-ol
CID 10332087
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
2-ethyl-3-methylidenecycloheptan-1-ol
CID 71439619
2-(5-amino-3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol
CID 62712496
1-[4-(2-hydroxycyclohexyl)buta-1,3-diynyl]cyclohexan-1-ol
CID 102030705

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol?
The IUPAC name of 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol (CID 82254305) is 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol?
The canonical SMILES for 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol is CC1=C(C#CC2CCCCC2O)CCCC1.
What is the InChIKey of 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol?
The InChIKey is UUXLTJMZQAGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-12-6-2-3-7-13(12)10-11-14-8-4-5-9-15(14)16/h14-16H,2-9H2,1H3.
What are the key properties of 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol?
2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol is sourced from PubChem (CID 82254305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).