2-cyclohexylhept-6-yn-2-ol

C13H22O — CID 114794902

IUPAC2-cyclohexylhept-6-yn-2-ol
SMILESC#CCCCC(C)(O)C1CCCCC1
InChIInChI=1S/C13H22O/c1-3-4-8-11-13(2,14)12-9-6-5-7-10-12/h1,12,14H,4-11H2,2H3
InChIKeyAEOHNJGZXSUINH-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.12
Rot. Bonds4

About 2-cyclohexylhept-6-yn-2-ol

2-cyclohexylhept-6-yn-2-ol (PubChem CID 114794902) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cyclohexylhept-6-yn-2-ol.

Molecular Properties

Compound Name2-cyclohexylhept-6-yn-2-ol
PubChem CID114794902
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-cyclohexylhept-6-yn-2-ol
SMILESC#CCCCC(C)(O)C1CCCCC1
InChIInChI=1S/C13H22O/c1-3-4-8-11-13(2,14)12-9-6-5-7-10-12/h1,12,14H,4-11H2,2H3
InChIKeyAEOHNJGZXSUINH-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclohexylhept-6-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexylpentan-2-ol
CID 75245103
2-cyclohexyl-6,6,6-trifluorohexan-2-ol
CID 116535957
4-cyclobutylpentane-1,4-diol
CID 116861653
5-amino-2-cyclobutylpentan-2-ol
CID 130580664
2-cyclopentylhept-5-yn-2-ol
CID 127011902
(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
2-cyclohexylbutan-2-ol
CID 14023764
(2R)-1-amino-2-cyclopentylpropan-2-ol
CID 94524784
2-cyclopropylpent-4-yn-2-ol
CID 10654223
1-cyclohexylhex-5-yn-1-one
CID 10354296
2-piperidin-3-ylpentan-2-ol
CID 63586269
2-cyclooctylpropan-2-ol
CID 27966

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylhept-6-yn-2-ol?
The IUPAC name of 2-cyclohexylhept-6-yn-2-ol (CID 114794902) is 2-cyclohexylhept-6-yn-2-ol.
What is the SMILES notation for 2-cyclohexylhept-6-yn-2-ol?
The canonical SMILES for 2-cyclohexylhept-6-yn-2-ol is C#CCCCC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylhept-6-yn-2-ol?
The InChIKey is AEOHNJGZXSUINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-4-8-11-13(2,14)12-9-6-5-7-10-12/h1,12,14H,4-11H2,2H3.
What are the key properties of 2-cyclohexylhept-6-yn-2-ol?
2-cyclohexylhept-6-yn-2-ol has a molecular weight of 194.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylhept-6-yn-2-ol is sourced from PubChem (CID 114794902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).