[(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate

C20H35O4P-2 — CID 138983512

IUPAC[(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@H](C)CCOP(=O)([O-])[O-]
InChIInChI=1S/C20H37O4P/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/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H2,21,22,23)/p-2/b18-11-,19-13-/t20-/m0/s1
InChIKeyYWHYEOIWASJQLU-QSVACPFMSA-L
MW370.47 g/mol
LogP5.06
Rot. Bonds13

About [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate

[(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate (PubChem CID 138983512) has the molecular formula C20H35O4P-2 and a molecular weight of 370.47 g/mol. Its IUPAC name is [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate.

Molecular Properties

Compound Name[(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate
PubChem CID138983512
Molecular FormulaC20H35O4P-2
Molecular Weight370.47 g/mol
Exact Mass370.23
IUPAC Name[(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@H](C)CCOP(=O)([O-])[O-]
InChIInChI=1S/C20H37O4P/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/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H2,21,22,23)/p-2/b18-11-,19-13-/t20-/m0/s1
InChIKeyYWHYEOIWASJQLU-QSVACPFMSA-L
XLogP5.06
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.06
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 [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate?
The IUPAC name of [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate (CID 138983512) is [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate.
What is the SMILES notation for [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate?
The canonical SMILES for [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate is CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@H](C)CCOP(=O)([O-])[O-].
What is the InChIKey of [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate?
The InChIKey is YWHYEOIWASJQLU-QSVACPFMSA-L. The full InChI is InChI=1S/C20H37O4P/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/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H2,21,22,23)/p-2/b18-11-,19-13-/t20-/m0/s1.
What are the key properties of [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate?
[(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate has a molecular weight of 370.47 g/mol, XLogP of 5.06, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6Z,10Z)-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] phosphate is sourced from PubChem (CID 138983512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).