[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate

C20H39O4P-2 — CID 25245113

IUPAC[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate
SMILESC/C(=C\COP(=O)([O-])[O-])CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/p-2/b20-15+/t18-,19-/m1/s1
InChIKeyYRXRHZOKDFCXIB-PYDDKJGSSA-L
MW374.50 g/mol
LogP5.22
Rot. Bonds15

About [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate

[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate (PubChem CID 25245113) has the molecular formula C20H39O4P-2 and a molecular weight of 374.50 g/mol. Its IUPAC name is [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate.

Molecular Properties

Compound Name[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate
PubChem CID25245113
Molecular FormulaC20H39O4P-2
Molecular Weight374.50 g/mol
Exact Mass374.26
IUPAC Name[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate
SMILESC/C(=C\COP(=O)([O-])[O-])CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/p-2/b20-15+/t18-,19-/m1/s1
InChIKeyYRXRHZOKDFCXIB-PYDDKJGSSA-L
XLogP5.22
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate?
The IUPAC name of [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate (CID 25245113) is [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate.
What is the SMILES notation for [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate?
The canonical SMILES for [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate is C/C(=C\COP(=O)([O-])[O-])CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate?
The InChIKey is YRXRHZOKDFCXIB-PYDDKJGSSA-L. The full InChI is InChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/p-2/b20-15+/t18-,19-/m1/s1.
What are the key properties of [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate?
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate has a molecular weight of 374.50 g/mol, XLogP of 5.22, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate is sourced from PubChem (CID 25245113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).