dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane

C16H26O6P2-4 — CID 19956992

IUPACdioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC(P(=O)([O-])[O-])P(=O)([O-])[O-]
InChIInChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b14-9+,15-11+
InChIKeyQBAOBDKNTDWTHR-YFVJMOTDSA-J
MW376.33 g/mol
LogP1.95
Rot. Bonds10

About dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane

dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane (PubChem CID 19956992) has the molecular formula C16H26O6P2-4 and a molecular weight of 376.33 g/mol. Its IUPAC name is dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane.

Molecular Properties

Compound Namedioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane
PubChem CID19956992
Molecular FormulaC16H26O6P2-4
Molecular Weight376.33 g/mol
Exact Mass376.12
IUPAC Namedioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC(P(=O)([O-])[O-])P(=O)([O-])[O-]
InChIInChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b14-9+,15-11+
InChIKeyQBAOBDKNTDWTHR-YFVJMOTDSA-J
XLogP1.95
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.95
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 dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane?
The IUPAC name of dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane (CID 19956992) is dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane.
What is the SMILES notation for dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane?
The canonical SMILES for dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(P(=O)([O-])[O-])P(=O)([O-])[O-].
What is the InChIKey of dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane?
The InChIKey is QBAOBDKNTDWTHR-YFVJMOTDSA-J. The full InChI is InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b14-9+,15-11+.
What are the key properties of dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane?
dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane has a molecular weight of 376.33 g/mol, XLogP of 1.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]-λ5-phosphane is sourced from PubChem (CID 19956992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).