1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C17H34O2 — CID 103035040

IUPAC1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(CCC(C)(C)OC)CC1
InChIInChI=1S/C17H34O2/c1-7-15(2,3)14-8-10-17(18,11-9-14)13-12-16(4,5)19-6/h14,18H,7-13H2,1-6H3
InChIKeyDSMOYZOXCFLMIO-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.55
Rot. Bonds6

About 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 103035040) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID103035040
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(CCC(C)(C)OC)CC1
InChIInChI=1S/C17H34O2/c1-7-15(2,3)14-8-10-17(18,11-9-14)13-12-16(4,5)19-6/h14,18H,7-13H2,1-6H3
InChIKeyDSMOYZOXCFLMIO-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)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-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 103035040) is 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(CCC(C)(C)OC)CC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is DSMOYZOXCFLMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-7-15(2,3)14-8-10-17(18,11-9-14)13-12-16(4,5)19-6/h14,18H,7-13H2,1-6H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 103035040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).