1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol

C15H30O2 — CID 107429641

IUPAC1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCOCCC(C)C1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C15H30O2/c1-12(2)10-14-6-5-8-15(16,11-14)13(3)7-9-17-4/h12-14,16H,5-11H2,1-4H3
InChIKeyXYXWLBLZNAOLBX-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.63
Rot. Bonds6

About 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429641) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429641
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCOCCC(C)C1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C15H30O2/c1-12(2)10-14-6-5-8-15(16,11-14)13(3)7-9-17-4/h12-14,16H,5-11H2,1-4H3
InChIKeyXYXWLBLZNAOLBX-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429641) is 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol is COCCC(C)C1(O)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is XYXWLBLZNAOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-12(2)10-14-6-5-8-15(16,11-14)13(3)7-9-17-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 242.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).