9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene

C19H40O6P2 — CID 134930337

IUPAC9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene
SMILESCCOP(=O)(OCC)C(CCC(C)CCC=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C19H40O6P2/c1-8-22-26(20,23-9-2)19(27(21,24-10-3)25-11-4)16-15-18(7)14-12-13-17(5)6/h13,18-19H,8-12,14-16H2,1-7H3
InChIKeyMJKASYAFIGKAAK-UHFFFAOYSA-N
MW426.47 g/mol
LogP7.01
Rot. Bonds16

About 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene

9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene (PubChem CID 134930337) has the molecular formula C19H40O6P2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene.

Molecular Properties

Compound Name9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene
PubChem CID134930337
Molecular FormulaC19H40O6P2
Molecular Weight426.47 g/mol
Exact Mass426.23
IUPAC Name9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene
SMILESCCOP(=O)(OCC)C(CCC(C)CCC=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C19H40O6P2/c1-8-22-26(20,23-9-2)19(27(21,24-10-3)25-11-4)16-15-18(7)14-12-13-17(5)6/h13,18-19H,8-12,14-16H2,1-7H3
InChIKeyMJKASYAFIGKAAK-UHFFFAOYSA-N
XLogP7.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 57.01
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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Related Compounds

Dolichyl diphosphate
CID 24892721
(E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate
CID 5280787
Phytyl diphosphate(3-)
CID 71728454
Phytyl diphosphate
CID 14556929
Phytyl phosphate
CID 25245114
Phytyl monophosphate
CID 25245113
Dolichyl phosphate dianion
CID 46906034
phosphono [(E)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate
CID 66545763
[(2Z,6E)-7,11-dimethyl-3-propan-2-yldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 10386837
[(2Z,6E)-3-cyclopentyl-7,11-dimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 44294509
[(2Z,6E)-7,11-dimethyl-3-(2-methylpropyl)dodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 44294641
[(2Z,6E)-3-butan-2-yl-7,11-dimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 44294653

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene?
The IUPAC name of 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene (CID 134930337) is 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene.
What is the SMILES notation for 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene?
The canonical SMILES for 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene is CCOP(=O)(OCC)C(CCC(C)CCC=C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene?
The InChIKey is MJKASYAFIGKAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O6P2/c1-8-22-26(20,23-9-2)19(27(21,24-10-3)25-11-4)16-15-18(7)14-12-13-17(5)6/h13,18-19H,8-12,14-16H2,1-7H3.
What are the key properties of 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene?
9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene has a molecular weight of 426.47 g/mol, XLogP of 7.01, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene is sourced from PubChem (CID 134930337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).