3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol

C15H30O — CID 83157507

IUPAC3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol
SMILESCC(C)CCCC1(O)CC(C)CC(C)(C)C1
InChIInChI=1S/C15H30O/c1-12(2)7-6-8-15(16)10-13(3)9-14(4,5)11-15/h12-13,16H,6-11H2,1-5H3
InChIKeyXKOLLTFNBUZNJX-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.39
Rot. Bonds4

About 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol

3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol (PubChem CID 83157507) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol
PubChem CID83157507
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol
SMILESCC(C)CCCC1(O)CC(C)CC(C)(C)C1
InChIInChI=1S/C15H30O/c1-12(2)7-6-8-15(16)10-13(3)9-14(4,5)11-15/h12-13,16H,6-11H2,1-5H3
InChIKeyXKOLLTFNBUZNJX-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol (CID 83157507) is 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol is CC(C)CCCC1(O)CC(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol?
The InChIKey is XKOLLTFNBUZNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-12(2)7-6-8-15(16)10-13(3)9-14(4,5)11-15/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol?
3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol is sourced from PubChem (CID 83157507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).