1-decyl-3,3-dimethylcyclohexan-1-ol

C18H36O — CID 65149393

IUPAC1-decyl-3,3-dimethylcyclohexan-1-ol
SMILESCCCCCCCCCCC1(O)CCCC(C)(C)C1
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-14-18(19)15-12-13-17(2,3)16-18/h19H,4-16H2,1-3H3
InChIKeyHLWIXVOILXBBQJ-UHFFFAOYSA-N
MW268.48 g/mol
LogP5.85
Rot. Bonds9

About 1-decyl-3,3-dimethylcyclohexan-1-ol

1-decyl-3,3-dimethylcyclohexan-1-ol (PubChem CID 65149393) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 1-decyl-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-decyl-3,3-dimethylcyclohexan-1-ol
PubChem CID65149393
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name1-decyl-3,3-dimethylcyclohexan-1-ol
SMILESCCCCCCCCCCC1(O)CCCC(C)(C)C1
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-14-18(19)15-12-13-17(2,3)16-18/h19H,4-16H2,1-3H3
InChIKeyHLWIXVOILXBBQJ-UHFFFAOYSA-N
XLogP5.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.85
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

3,3-dimethyl-1-pentylcyclohexan-1-ol
CID 65148962
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
1-heptadecylcyclopropan-1-ol
CID 2802251
3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 65149018
1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
CID 46835727
8-octylspiro[4.5]decan-8-ol
CID 114819460
3-methoxy-1-nonylcyclohexan-1-ol
CID 106873856
3-octyloxan-3-ol
CID 65148950
3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567262
4-dodecyloxepan-4-ol
CID 65151403
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-decyl-3,3-dimethylcyclohexan-1-ol (CID 65149393) is 1-decyl-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-decyl-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-decyl-3,3-dimethylcyclohexan-1-ol is CCCCCCCCCCC1(O)CCCC(C)(C)C1.
What is the InChIKey of 1-decyl-3,3-dimethylcyclohexan-1-ol?
The InChIKey is HLWIXVOILXBBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-14-18(19)15-12-13-17(2,3)16-18/h19H,4-16H2,1-3H3.
What are the key properties of 1-decyl-3,3-dimethylcyclohexan-1-ol?
1-decyl-3,3-dimethylcyclohexan-1-ol has a molecular weight of 268.48 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65149393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).