1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one

C23H41O7P — CID 10837662

IUPAC1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one
SMILESCOP(=O)(CC(=O)CC1(/C=C(\C)CC/C=C(\C)CCC(CO)C(C)C)OCCO1)OC
InChIInChI=1S/C23H41O7P/c1-18(2)21(16-24)11-10-19(3)8-7-9-20(4)14-23(29-12-13-30-23)15-22(25)17-31(26,27-5)28-6/h8,14,18,21,24H,7,9-13,15-17H2,1-6H3/b19-8+,20-14+
InChIKeyOQZBSCHYSSLKBH-HTPNMXJWSA-N
MW460.55 g/mol
LogP4.89
Rot. Bonds15

About 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one

1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one (PubChem CID 10837662) has the molecular formula C23H41O7P and a molecular weight of 460.55 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one
PubChem CID10837662
Molecular FormulaC23H41O7P
Molecular Weight460.55 g/mol
Exact Mass460.26
IUPAC Name1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one
SMILESCOP(=O)(CC(=O)CC1(/C=C(\C)CC/C=C(\C)CCC(CO)C(C)C)OCCO1)OC
InChIInChI=1S/C23H41O7P/c1-18(2)21(16-24)11-10-19(3)8-7-9-20(4)14-23(29-12-13-30-23)15-22(25)17-31(26,27-5)28-6/h8,14,18,21,24H,7,9-13,15-17H2,1-6H3/b19-8+,20-14+
InChIKeyOQZBSCHYSSLKBH-HTPNMXJWSA-N
XLogP4.89
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one 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 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one (CID 10837662) is 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one is COP(=O)(CC(=O)CC1(/C=C(\C)CC/C=C(\C)CCC(CO)C(C)C)OCCO1)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one?
The InChIKey is OQZBSCHYSSLKBH-HTPNMXJWSA-N. The full InChI is InChI=1S/C23H41O7P/c1-18(2)21(16-24)11-10-19(3)8-7-9-20(4)14-23(29-12-13-30-23)15-22(25)17-31(26,27-5)28-6/h8,14,18,21,24H,7,9-13,15-17H2,1-6H3/b19-8+,20-14+.
What are the key properties of 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one?
1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one has a molecular weight of 460.55 g/mol, XLogP of 4.89, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3-[2-[(1E,5E)-9-(hydroxymethyl)-2,6,10-trimethylundeca-1,5-dienyl]-1,3-dioxolan-2-yl]propan-2-one is sourced from PubChem (CID 10837662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).