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

C15H32O6P2 — CID 134930338

IUPAC9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene
SMILESCOP(=O)(OC)C(CCC(C)CCC=C(C)C)P(=O)(OC)OC
InChIInChI=1S/C15H32O6P2/c1-13(2)9-8-10-14(3)11-12-15(22(16,18-4)19-5)23(17,20-6)21-7/h9,14-15H,8,10-12H2,1-7H3
InChIKeyJBHHYAJTGAPCHV-UHFFFAOYSA-N
MW370.36 g/mol
LogP5.45
Rot. Bonds12

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

9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene (PubChem CID 134930338) has the molecular formula C15H32O6P2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene.

Molecular Properties

Compound Name9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene
PubChem CID134930338
Molecular FormulaC15H32O6P2
Molecular Weight370.36 g/mol
Exact Mass370.17
IUPAC Name9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene
SMILESCOP(=O)(OC)C(CCC(C)CCC=C(C)C)P(=O)(OC)OC
InChIInChI=1S/C15H32O6P2/c1-13(2)9-8-10-14(3)11-12-15(22(16,18-4)19-5)23(17,20-6)21-7/h9,14-15H,8,10-12H2,1-7H3
InChIKeyJBHHYAJTGAPCHV-UHFFFAOYSA-N
XLogP5.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.36
LogP ≤ 55.45
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'}

Analyze 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene
CID 101149178
(E)-1,1-bis(diethoxyphosphoryl)-3-methyloct-2-ene
CID 134930081
9,9-Bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene
CID 134930337
1-Diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene
CID 11760359
(6E)-13,13-bis(diethoxyphosphoryl)-2,6-dimethyltrideca-2,6-diene
CID 10412888
Phosphonic acid, (3,7-dimethyl-6-octenyl)-, diethyl ester
CID 10683877
(6,10-Dimethyl-1-phosphonoundec-9-enyl)phosphonic acid
CID 19814133
[(5E,9E)-6,10,14-trimethyl-1-phosphonopentadeca-5,9-dienyl]phosphonic acid
CID 19814146
[(6R)-6,10-dimethyl-1-phosphonoundec-9-enyl]phosphonic acid
CID 54146158
[(6S)-6,10-dimethyl-1-phosphonoundec-9-enyl]phosphonic acid
CID 54146159
(6,10,14-Trimethyl-1-phosphonopentadeca-5,9-dienyl)phosphonic acid
CID 54395368
(E)-1-diethoxyphosphoryl-3,7,11,15-tetramethylhexadec-2-ene
CID 57689368

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene?
The IUPAC name of 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene (CID 134930338) is 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene.
What is the SMILES notation for 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene?
The canonical SMILES for 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene is COP(=O)(OC)C(CCC(C)CCC=C(C)C)P(=O)(OC)OC.
What is the InChIKey of 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene?
The InChIKey is JBHHYAJTGAPCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6P2/c1-13(2)9-8-10-14(3)11-12-15(22(16,18-4)19-5)23(17,20-6)21-7/h9,14-15H,8,10-12H2,1-7H3.
What are the key properties of 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene?
9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene has a molecular weight of 370.36 g/mol, XLogP of 5.45, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene is sourced from PubChem (CID 134930338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).