3,3-dimethyl-1-pentylcyclohexan-1-ol

C13H26O — CID 65148962

IUPAC3,3-dimethyl-1-pentylcyclohexan-1-ol
SMILESCCCCCC1(O)CCCC(C)(C)C1
InChIInChI=1S/C13H26O/c1-4-5-6-9-13(14)10-7-8-12(2,3)11-13/h14H,4-11H2,1-3H3
InChIKeyWTGCKKUZWGOMLK-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.90
Rot. Bonds4

About 3,3-dimethyl-1-pentylcyclohexan-1-ol

3,3-dimethyl-1-pentylcyclohexan-1-ol (PubChem CID 65148962) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-pentylcyclohexan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-pentylcyclohexan-1-ol
PubChem CID65148962
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3,3-dimethyl-1-pentylcyclohexan-1-ol
SMILESCCCCCC1(O)CCCC(C)(C)C1
InChIInChI=1S/C13H26O/c1-4-5-6-9-13(14)10-7-8-12(2,3)11-13/h14H,4-11H2,1-3H3
InChIKeyWTGCKKUZWGOMLK-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.90
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

1-decyl-3,3-dimethylcyclohexan-1-ol
CID 65149393
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 65149018
1-heptadecylcyclopropan-1-ol
CID 2802251
1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
CID 46835727
3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567262
1-non-4-ynylcyclobutan-1-ol
CID 135040055
3-pentyloxan-3-ol
CID 65148784
3-methoxy-1-nonylcyclohexan-1-ol
CID 106873856
3-octyloxan-3-ol
CID 65148950
4-dodecyloxepan-4-ol
CID 65151403

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pentylcyclohexan-1-ol?
The IUPAC name of 3,3-dimethyl-1-pentylcyclohexan-1-ol (CID 65148962) is 3,3-dimethyl-1-pentylcyclohexan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-pentylcyclohexan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-pentylcyclohexan-1-ol is CCCCCC1(O)CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-pentylcyclohexan-1-ol?
The InChIKey is WTGCKKUZWGOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-5-6-9-13(14)10-7-8-12(2,3)11-13/h14H,4-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-pentylcyclohexan-1-ol?
3,3-dimethyl-1-pentylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pentylcyclohexan-1-ol is sourced from PubChem (CID 65148962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).