2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol

C16H28O — CID 24866405

IUPAC2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol
SMILESCCCCC#CC1(C(C)(C)O)CCCCC1C
InChIInChI=1S/C16H28O/c1-5-6-7-9-12-16(15(3,4)17)13-10-8-11-14(16)2/h14,17H,5-8,10-11,13H2,1-4H3
InChIKeyAKKBNMBAEMKARZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.15
Rot. Bonds3

About 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol

2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol (PubChem CID 24866405) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol.

Molecular Properties

Compound Name2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol
PubChem CID24866405
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol
SMILESCCCCC#CC1(C(C)(C)O)CCCCC1C
InChIInChI=1S/C16H28O/c1-5-6-7-9-12-16(15(3,4)17)13-10-8-11-14(16)2/h14,17H,5-8,10-11,13H2,1-4H3
InChIKeyAKKBNMBAEMKARZ-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.15
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'}

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Related Compounds

4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol
CID 94841
Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-
CID 117290
2-Cyclohexylbut-3-yn-2-ol
CID 11182706
Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-
CID 169864
1,2,2-Trimethylcyclohexan-1-ol
CID 5463846
1-(3-Hydroxy-3-methyl-1-pentynyl)-2-methyl-cyclohexanol
CID 219209
1-Tert-butyl-2,2,6-trimethylcyclohexan-1-ol
CID 13572306
3-t-Butyl-1-ethynylcyclohexanol
CID 21093387
1-Ethyl-2,2,6-trimethylcyclohexanol
CID 129690437
1,2,2,6-Tetramethylcyclohexanol
CID 129690443
Bicyclo[2.2.1]heptan-2-ol, 2,7,7-trimethyl, exo
CID 6431626
2-Tert-butyl-1-methylcyclohexan-1-ol
CID 530356

Frequently Asked Questions

What is the IUPAC name of 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol?
The IUPAC name of 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol (CID 24866405) is 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol.
What is the SMILES notation for 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol?
The canonical SMILES for 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol is CCCCC#CC1(C(C)(C)O)CCCCC1C.
What is the InChIKey of 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol?
The InChIKey is AKKBNMBAEMKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-5-6-7-9-12-16(15(3,4)17)13-10-8-11-14(16)2/h14,17H,5-8,10-11,13H2,1-4H3.
What are the key properties of 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol?
2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol has a molecular weight of 236.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hex-1-ynyl-2-methylcyclohexyl)propan-2-ol is sourced from PubChem (CID 24866405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).