2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate

C24H40O3 — CID 123258371

About 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate

2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate (PubChem CID 123258371) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate.

Molecular Properties

• Compound Name: 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate
• PubChem CID: 123258371
• Molecular Formula: C24H40O3
• Molecular Weight: 376.58 g/mol
• Exact Mass: 376.30
• IUPAC Name: 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate
• SMILES: CCC(C)(C)C(C)C1C=C(OCC(=O)OC(C)(C)C2CCCCC2)C=CC1
• InChI: InChI=1S/C24H40O3/c1-7-23(3,4)18(2)19-12-11-15-21(16-19)26-17-22(25)27-24(5,6)20-13-9-8-10-14-20/h11,15-16,18-20H,7-10,12-14,17H2,1-6H3
• InChIKey: XZIQVMPRTRXVSO-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.58
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate?

The IUPAC name of 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate (CID 123258371) is 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate.

What is the SMILES notation for 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate?

The canonical SMILES for 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate is CCC(C)(C)C(C)C1C=C(OCC(=O)OC(C)(C)C2CCCCC2)C=CC1.

What is the InChIKey of 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate?

The InChIKey is XZIQVMPRTRXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O3/c1-7-23(3,4)18(2)19-12-11-15-21(16-19)26-17-22(25)27-24(5,6)20-13-9-8-10-14-20/h11,15-16,18-20H,7-10,12-14,17H2,1-6H3.

What are the key properties of 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate?

2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate has a molecular weight of 376.58 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate is sourced from PubChem (CID 123258371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).