3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene

C17H30O2 — CID 139751328

IUPAC3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene
SMILESCOCC(COC)(C1C=CCCC1)C1CCCCC1
InChIInChI=1S/C17H30O2/c1-18-13-17(14-19-2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h5,9,15-16H,3-4,6-8,10-14H2,1-2H3
InChIKeyZGHQLACFTXTURS-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.20
Rot. Bonds6

About 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene

3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene (PubChem CID 139751328) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene.

Molecular Properties

Compound Name3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene
PubChem CID139751328
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene
SMILESCOCC(COC)(C1C=CCCC1)C1CCCCC1
InChIInChI=1S/C17H30O2/c1-18-13-17(14-19-2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h5,9,15-16H,3-4,6-8,10-14H2,1-2H3
InChIKeyZGHQLACFTXTURS-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene?
The IUPAC name of 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene (CID 139751328) is 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene.
What is the SMILES notation for 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene?
The canonical SMILES for 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene is COCC(COC)(C1C=CCCC1)C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene?
The InChIKey is ZGHQLACFTXTURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-18-13-17(14-19-2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h5,9,15-16H,3-4,6-8,10-14H2,1-2H3.
What are the key properties of 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene?
3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene has a molecular weight of 266.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexene is sourced from PubChem (CID 139751328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).