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

C14H20O — CID 10398004

IUPAC1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol
SMILESOC1(C#CC2=CCCCC2)CCCCC1
InChIInChI=1S/C14H20O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h7,15H,1-6,8,10-11H2
InChIKeyASUIJOFOHHYQAD-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.19
Rot. Bonds

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

1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol (PubChem CID 10398004) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol
PubChem CID10398004
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol
SMILESOC1(C#CC2=CCCCC2)CCCCC1
InChIInChI=1S/C14H20O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h7,15H,1-6,8,10-11H2
InChIKeyASUIJOFOHHYQAD-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.19
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

2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol
CID 135016350
1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol
CID 102578273
1-[3-[3-(cyclohexen-1-yl)prop-2-ynylsulfanyl]prop-1-ynyl]cyclohexene
CID 15500113
1-[[4-(cyclohexen-1-yl)phenyl]methyl]cyclohexan-1-ol
CID 101241900
5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran
CID 11286929
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
CID 106651235
1-[2-(4-butylphenyl)ethynyl]cyclopentan-1-ol
CID 146002790
1-buta-1,3-diynylcyclohexan-1-ol
CID 12590159
cyclododecen-1-ylmethanol
CID 70464862
1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
CID 143366321
1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
CID 45276566
1-(cyclohexen-1-yl)hex-1-yn-3-ol
CID 16724041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol (CID 10398004) is 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol is OC1(C#CC2=CCCCC2)CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol?
The InChIKey is ASUIJOFOHHYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h7,15H,1-6,8,10-11H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol?
1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol is sourced from PubChem (CID 10398004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).