2-pent-1-ynylcyclohexan-1-ol

C11H18O — CID 102275152

IUPAC2-pent-1-ynylcyclohexan-1-ol
SMILESCCCC#CC1CCCCC1O
InChIInChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-12H,2-3,5-6,8-9H2,1H3
InChIKeyQEJRJYDNWRJAMT-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds1

About 2-pent-1-ynylcyclohexan-1-ol

2-pent-1-ynylcyclohexan-1-ol (PubChem CID 102275152) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-pent-1-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name2-pent-1-ynylcyclohexan-1-ol
PubChem CID102275152
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-pent-1-ynylcyclohexan-1-ol
SMILESCCCC#CC1CCCCC1O
InChIInChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-12H,2-3,5-6,8-9H2,1H3
InChIKeyQEJRJYDNWRJAMT-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.34
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-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
CID 130905013
(1R)-2-(2-trimethylsilylethynyl)cyclopentan-1-ol
CID 59467082
cyclohexane-1,2-diol;ethane;propane
CID 143149782
cis-(1S,2R)-2-ethynylcyclohexan-1-ol
CID 11469076
2-hydroxycyclohexane-1-carbonitrile
CID 543100
cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane
CID 15441434
1-[4-(2-hydroxycyclohexyl)buta-1,3-diynyl]cyclohexan-1-ol
CID 102030705
2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol
CID 82254305
1-cyclohexylhex-2-yn-1-one
CID 100923593
2-[(1R,2R)-2-hex-1-ynylcyclohexyl]isoindole-1,3-dione
CID 10733693
butan-1-ol;cyclopentanol
CID 67930913
bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
CID 25004234

Frequently Asked Questions

What is the IUPAC name of 2-pent-1-ynylcyclohexan-1-ol?
The IUPAC name of 2-pent-1-ynylcyclohexan-1-ol (CID 102275152) is 2-pent-1-ynylcyclohexan-1-ol.
What is the SMILES notation for 2-pent-1-ynylcyclohexan-1-ol?
The canonical SMILES for 2-pent-1-ynylcyclohexan-1-ol is CCCC#CC1CCCCC1O.
What is the InChIKey of 2-pent-1-ynylcyclohexan-1-ol?
The InChIKey is QEJRJYDNWRJAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-12H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-pent-1-ynylcyclohexan-1-ol?
2-pent-1-ynylcyclohexan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-ynylcyclohexan-1-ol is sourced from PubChem (CID 102275152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).