5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

C16H32O2 — CID 155675585

IUPAC5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
SMILESCCCCCCC1(C)CCC(C(C)CO)C(O)C1
InChIInChI=1S/C16H32O2/c1-4-5-6-7-9-16(3)10-8-14(13(2)12-17)15(18)11-16/h13-15,17-18H,4-12H2,1-3H3
InChIKeyBQTFLXUOAANVHI-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.75
Rot. Bonds7

About 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol (PubChem CID 155675585) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
PubChem CID155675585
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
SMILESCCCCCCC1(C)CCC(C(C)CO)C(O)C1
InChIInChI=1S/C16H32O2/c1-4-5-6-7-9-16(3)10-8-14(13(2)12-17)15(18)11-16/h13-15,17-18H,4-12H2,1-3H3
InChIKeyBQTFLXUOAANVHI-UHFFFAOYSA-N
XLogP3.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-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-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol
CID 155675575
5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 155675581
2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol
CID 155675582
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728
(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174625058
5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22117962
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
1-butyl-1,3-dimethylcyclopentane
CID 123273889
1-methyl-1-pentylcyclopropane
CID 524644
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
1-methyl-1-undecylcyclohexane
CID 86137257

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The IUPAC name of 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol (CID 155675585) is 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol.
What is the SMILES notation for 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The canonical SMILES for 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol is CCCCCCC1(C)CCC(C(C)CO)C(O)C1.
What is the InChIKey of 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The InChIKey is BQTFLXUOAANVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-5-6-7-9-16(3)10-8-14(13(2)12-17)15(18)11-16/h13-15,17-18H,4-12H2,1-3H3.
What are the key properties of 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol is sourced from PubChem (CID 155675585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).