2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol

C14H28O — CID 83158284

IUPAC2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol
SMILESCC(C)CCCC1(O)CC(C)CCC1C
InChIInChI=1S/C14H28O/c1-11(2)6-5-9-14(15)10-12(3)7-8-13(14)4/h11-13,15H,5-10H2,1-4H3
InChIKeyFATVDJWTWVXYKU-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds4

About 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol

2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol (PubChem CID 83158284) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol
PubChem CID83158284
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol
SMILESCC(C)CCCC1(O)CC(C)CCC1C
InChIInChI=1S/C14H28O/c1-11(2)6-5-9-14(15)10-12(3)7-8-13(14)4/h11-13,15H,5-10H2,1-4H3
InChIKeyFATVDJWTWVXYKU-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol?
The IUPAC name of 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol (CID 83158284) is 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol?
The canonical SMILES for 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol is CC(C)CCCC1(O)CC(C)CCC1C.
What is the InChIKey of 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol?
The InChIKey is FATVDJWTWVXYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-11(2)6-5-9-14(15)10-12(3)7-8-13(14)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol?
2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol is sourced from PubChem (CID 83158284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).