2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol

C15H30O — CID 170620786

IUPAC2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(C(C)CC(C)C(C)C)C1
InChIInChI=1S/C15H30O/c1-10(2)12(4)9-13(5)14-8-11(3)6-7-15(14)16/h10-16H,6-9H2,1-5H3
InChIKeyOXVHRJIXHGZNBR-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.10
Rot. Bonds4

About 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol

2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol (PubChem CID 170620786) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol
PubChem CID170620786
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(C(C)CC(C)C(C)C)C1
InChIInChI=1S/C15H30O/c1-10(2)12(4)9-13(5)14-8-11(3)6-7-15(14)16/h10-16H,6-9H2,1-5H3
InChIKeyOXVHRJIXHGZNBR-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol?
The IUPAC name of 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol (CID 170620786) is 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol is CC1CCC(O)C(C(C)CC(C)C(C)C)C1.
What is the InChIKey of 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol?
The InChIKey is OXVHRJIXHGZNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-10(2)12(4)9-13(5)14-8-11(3)6-7-15(14)16/h10-16H,6-9H2,1-5H3.
What are the key properties of 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol?
2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylhexan-2-yl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 170620786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).