[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid

C16H27O3P — CID 10017574

IUPAC[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/P(=O)(O)O
InChIInChI=1S/C16H27O3P/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-20(17,18)19/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,17,18,19)/b13-7+,15-10+,16-12+
InChIKeyWNZPYILQRZJHHZ-YKXWRRLFSA-N
MW298.36 g/mol
LogP5.10
Rot. Bonds8

About [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid

[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid (PubChem CID 10017574) has the molecular formula C16H27O3P and a molecular weight of 298.36 g/mol. Its IUPAC name is [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid.

Molecular Properties

Compound Name[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid
PubChem CID10017574
Molecular FormulaC16H27O3P
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/P(=O)(O)O
InChIInChI=1S/C16H27O3P/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-20(17,18)19/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,17,18,19)/b13-7+,15-10+,16-12+
InChIKeyWNZPYILQRZJHHZ-YKXWRRLFSA-N
XLogP5.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.36
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic 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 [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid?
The IUPAC name of [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid (CID 10017574) is [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid.
What is the SMILES notation for [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid?
The canonical SMILES for [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/P(=O)(O)O.
What is the InChIKey of [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid?
The InChIKey is WNZPYILQRZJHHZ-YKXWRRLFSA-N. The full InChI is InChI=1S/C16H27O3P/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-20(17,18)19/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,17,18,19)/b13-7+,15-10+,16-12+.
What are the key properties of [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid?
[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid has a molecular weight of 298.36 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid is sourced from PubChem (CID 10017574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).