(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

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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).