(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane

C18H34O2 — CID 66896613

IUPAC(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane
SMILESCOCC(C1CCCCC1)(C1CCCCC1)C(C)OC
InChIInChI=1S/C18H34O2/c1-15(20-3)18(14-19-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3
InChIKeyUQPREOUZEIKSCT-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.81
Rot. Bonds6

About (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane

(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane (PubChem CID 66896613) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane.

Molecular Properties

Compound Name(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane
PubChem CID66896613
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane
SMILESCOCC(C1CCCCC1)(C1CCCCC1)C(C)OC
InChIInChI=1S/C18H34O2/c1-15(20-3)18(14-19-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3
InChIKeyUQPREOUZEIKSCT-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500
methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106
2-cyclopentyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 139927528
[1-methoxy-2-(methoxymethyl)-3-methylhexan-2-yl]cyclopentane
CID 90169995
2-cyclopentyl-2-(methoxymethyl)-4-methylpentan-1-amine
CID 139968950
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
CID 54153860
[4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane
CID 71344559
[5-bromo-1-methoxy-2-(methoxymethyl)-7-methyl-5-(2-methylpropyl)octan-2-yl]cyclohexane
CID 174162182
2,2-dicyclohexylbutane-1,3-diamine
CID 23345386
2-cyclopentyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 139968893
[2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane
CID 22372616

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane?
The IUPAC name of (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane (CID 66896613) is (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane.
What is the SMILES notation for (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane?
The canonical SMILES for (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane is COCC(C1CCCCC1)(C1CCCCC1)C(C)OC.
What is the InChIKey of (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane?
The InChIKey is UQPREOUZEIKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-15(20-3)18(14-19-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3.
What are the key properties of (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane?
(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane has a molecular weight of 282.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane is sourced from PubChem (CID 66896613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).