3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate

C19H30O3 — CID 140658269

IUPAC3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate
SMILESCC(C)=CCCC(C)=CCOC(=O)C(=O)C1CCC(C)CC1
InChIInChI=1S/C19H30O3/c1-14(2)6-5-7-15(3)12-13-22-19(21)18(20)17-10-8-16(4)9-11-17/h6,12,16-17H,5,7-11,13H2,1-4H3
InChIKeyBANYVBSLCVHOQP-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.62
Rot. Bonds7

About 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate

3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate (PubChem CID 140658269) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate.

Molecular Properties

Compound Name3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate
PubChem CID140658269
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate
SMILESCC(C)=CCCC(C)=CCOC(=O)C(=O)C1CCC(C)CC1
InChIInChI=1S/C19H30O3/c1-14(2)6-5-7-15(3)12-13-22-19(21)18(20)17-10-8-16(4)9-11-17/h6,12,16-17H,5,7-11,13H2,1-4H3
InChIKeyBANYVBSLCVHOQP-UHFFFAOYSA-N
XLogP4.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate?
The IUPAC name of 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate (CID 140658269) is 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate.
What is the SMILES notation for 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate?
The canonical SMILES for 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate is CC(C)=CCCC(C)=CCOC(=O)C(=O)C1CCC(C)CC1.
What is the InChIKey of 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate?
The InChIKey is BANYVBSLCVHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-14(2)6-5-7-15(3)12-13-22-19(21)18(20)17-10-8-16(4)9-11-17/h6,12,16-17H,5,7-11,13H2,1-4H3.
What are the key properties of 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate?
3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate has a molecular weight of 306.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-2,6-dienyl 2-(4-methylcyclohexyl)-2-oxoacetate is sourced from PubChem (CID 140658269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).