(3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane

C18H34O2 — CID 18461953

IUPAC(3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane
SMILESCOCC(C1CCCCC1)C(COC)C1CCCCC1
InChIInChI=1S/C18H34O2/c1-19-13-17(15-9-5-3-6-10-15)18(14-20-2)16-11-7-4-8-12-16/h15-18H,3-14H2,1-2H3
InChIKeyDCWBYZWJXUQBHC-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.67
Rot. Bonds7

About (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane

(3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane (PubChem CID 18461953) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane.

Molecular Properties

Compound Name(3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane
PubChem CID18461953
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane
SMILESCOCC(C1CCCCC1)C(COC)C1CCCCC1
InChIInChI=1S/C18H34O2/c1-19-13-17(15-9-5-3-6-10-15)18(14-20-2)16-11-7-4-8-12-16/h15-18H,3-14H2,1-2H3
InChIKeyDCWBYZWJXUQBHC-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane?
The IUPAC name of (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane (CID 18461953) is (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane.
What is the SMILES notation for (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane?
The canonical SMILES for (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane is COCC(C1CCCCC1)C(COC)C1CCCCC1.
What is the InChIKey of (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane?
The InChIKey is DCWBYZWJXUQBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-19-13-17(15-9-5-3-6-10-15)18(14-20-2)16-11-7-4-8-12-16/h15-18H,3-14H2,1-2H3.
What are the key properties of (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane?
(3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane has a molecular weight of 282.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane is sourced from PubChem (CID 18461953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).