1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol

C16H32O — CID 22891121

IUPAC1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)CCCCC1(O)CCC(C(C)C)CC1
InChIInChI=1S/C16H32O/c1-13(2)7-5-6-10-16(17)11-8-15(9-12-16)14(3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyLYOLOBVOMPDPMW-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.78
Rot. Bonds6

About 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol

1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 22891121) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID22891121
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)CCCCC1(O)CCC(C(C)C)CC1
InChIInChI=1S/C16H32O/c1-13(2)7-5-6-10-16(17)11-8-15(9-12-16)14(3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyLYOLOBVOMPDPMW-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Terpin
CID 6651
p-MENTHAN-8-OL
CID 10353
p-Menthan-1-ol
CID 89437
p-Menthan-4-ol
CID 574674
4-Cyclohexyl-2-methyl-2-butanol
CID 14434313
3-Dodecanol, 3,7,11-trimethyl-
CID 23701
3-Hexadecanol, 3,7,11,15-tetramethyl-
CID 3020977
Cyclohexanemethanol, alpha,alpha-dimethyl-
CID 85531
1-Cyclohexyl-2-methyl-2-propanol
CID 138531
Cyclohexanol, 1-(1-methylethyl)
CID 520744
2-Cyclohexyl-hexan-2-ol
CID 568244
2-(4,4-Dimethylcyclohexyl)propan-2-ol
CID 2825220

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol (CID 22891121) is 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)CCCCC1(O)CCC(C(C)C)CC1.
What is the InChIKey of 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is LYOLOBVOMPDPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-13(2)7-5-6-10-16(17)11-8-15(9-12-16)14(3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol?
1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 240.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 22891121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).