9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid

C14H22O4 — CID 54548461

IUPAC9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid
SMILESC=C(C=CCC(C)CCC(=O)O)C(C)OC(C)=O
InChIInChI=1S/C14H22O4/c1-10(8-9-14(16)17)6-5-7-11(2)12(3)18-13(4)15/h5,7,10,12H,2,6,8-9H2,1,3-4H3,(H,16,17)
InChIKeyZIFNEEXSWJUJNJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.94
Rot. Bonds8

About 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid

9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid (PubChem CID 54548461) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid.

Molecular Properties

Compound Name9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid
PubChem CID54548461
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid
SMILESC=C(C=CCC(C)CCC(=O)O)C(C)OC(C)=O
InChIInChI=1S/C14H22O4/c1-10(8-9-14(16)17)6-5-7-11(2)12(3)18-13(4)15/h5,7,10,12H,2,6,8-9H2,1,3-4H3,(H,16,17)
InChIKeyZIFNEEXSWJUJNJ-UHFFFAOYSA-N
XLogP2.94
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid 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 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid?
The IUPAC name of 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid (CID 54548461) is 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid.
What is the SMILES notation for 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid?
The canonical SMILES for 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid is C=C(C=CCC(C)CCC(=O)O)C(C)OC(C)=O.
What is the InChIKey of 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid?
The InChIKey is ZIFNEEXSWJUJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-10(8-9-14(16)17)6-5-7-11(2)12(3)18-13(4)15/h5,7,10,12H,2,6,8-9H2,1,3-4H3,(H,16,17).
What are the key properties of 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid?
9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid has a molecular weight of 254.33 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyloxy-4-methyl-8-methylidenedec-6-enoic acid is sourced from PubChem (CID 54548461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).