1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene

C17H31O3P — CID 85101259

IUPAC1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCOP(=O)(CC=C(C)CCC=C(C)CCC=C(C)C)OC
InChIInChI=1S/C17H31O3P/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-21(18,19-5)20-6/h9,11,13H,7-8,10,12,14H2,1-6H3
InChIKeyPWJYFWGHJGZRHH-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.89
Rot. Bonds10

About 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene

1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene (PubChem CID 85101259) has the molecular formula C17H31O3P and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene
PubChem CID85101259
Molecular FormulaC17H31O3P
Molecular Weight314.41 g/mol
Exact Mass314.20
IUPAC Name1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCOP(=O)(CC=C(C)CCC=C(C)CCC=C(C)C)OC
InChIInChI=1S/C17H31O3P/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-21(18,19-5)20-6/h9,11,13H,7-8,10,12,14H2,1-6H3
InChIKeyPWJYFWGHJGZRHH-UHFFFAOYSA-N
XLogP5.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene with MolForge

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

Launch Full Analysis

Related Compounds

(2E, 6E)-farnesylbisphosphonate
CID 9871730
[(3E,7Z)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-trienyl]phosphonic acid
CID 44452287
[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trien-1-yl]phosphonate
CID 19956992
[hydroxy(methoxy)phosphoryl]methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphinic acid
CID 15737300
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienyl]phosphonic acid
CID 19787713
[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
CID 19854166
potassium oxido-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium
CID 44299994
phosphonooxy-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphinic acid
CID 44298133
[(3Z,7E)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-trienyl]phosphonic acid
CID 44452285
[(3Z,7Z)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-trienyl]phosphonic acid
CID 44452286
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
Farnesyl phosphonic acid
CID 87674765

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene?
The IUPAC name of 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene (CID 85101259) is 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene?
The canonical SMILES for 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene is COP(=O)(CC=C(C)CCC=C(C)CCC=C(C)C)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene?
The InChIKey is PWJYFWGHJGZRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31O3P/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-21(18,19-5)20-6/h9,11,13H,7-8,10,12,14H2,1-6H3.
What are the key properties of 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene?
1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene has a molecular weight of 314.41 g/mol, XLogP of 5.89, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 85101259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).