13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene

C27H50O6P2 — CID 76837083

IUPAC13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene
SMILESCCOP(=O)(OCC)C(CC=C(C)C)(CC=C(C)CCC=C(C)CCC=C(C)C)P(=O)(OC)OC
InChIInChI=1S/C27H50O6P2/c1-11-32-35(29,33-12-2)27(21-19-24(5)6,34(28,30-9)31-10)22-20-26(8)18-14-17-25(7)16-13-15-23(3)4/h15,17,19-20H,11-14,16,18,21-22H2,1-10H3
InChIKeyXGXDWWTYFALEJP-UHFFFAOYSA-N
MW532.64 g/mol
LogP9.60
Rot. Bonds18

About 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene

13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene (PubChem CID 76837083) has the molecular formula C27H50O6P2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene.

Molecular Properties

Compound Name13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene
PubChem CID76837083
Molecular FormulaC27H50O6P2
Molecular Weight532.64 g/mol
Exact Mass532.31
IUPAC Name13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene
SMILESCCOP(=O)(OCC)C(CC=C(C)C)(CC=C(C)CCC=C(C)CCC=C(C)C)P(=O)(OC)OC
InChIInChI=1S/C27H50O6P2/c1-11-32-35(29,33-12-2)27(21-19-24(5)6,34(28,30-9)31-10)22-20-26(8)18-14-17-25(7)16-13-15-23(3)4/h15,17,19-20H,11-14,16,18,21-22H2,1-10H3
InChIKeyXGXDWWTYFALEJP-UHFFFAOYSA-N
XLogP9.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene?
The IUPAC name of 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene (CID 76837083) is 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene.
What is the SMILES notation for 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene?
The canonical SMILES for 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene is CCOP(=O)(OCC)C(CC=C(C)C)(CC=C(C)CCC=C(C)CCC=C(C)C)P(=O)(OC)OC.
What is the InChIKey of 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene?
The InChIKey is XGXDWWTYFALEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50O6P2/c1-11-32-35(29,33-12-2)27(21-19-24(5)6,34(28,30-9)31-10)22-20-26(8)18-14-17-25(7)16-13-15-23(3)4/h15,17,19-20H,11-14,16,18,21-22H2,1-10H3.
What are the key properties of 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene?
13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene has a molecular weight of 532.64 g/mol, XLogP of 9.60, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-diethoxyphosphoryl-13-dimethoxyphosphoryl-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene is sourced from PubChem (CID 76837083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).