9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene

C15H30O6P2 — CID 91194045

IUPAC9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene
SMILESCOP(=O)(OC)C(CC=C(C)CCC=C(C)C)P(=O)(OC)OC
InChIInChI=1S/C15H30O6P2/c1-13(2)9-8-10-14(3)11-12-15(22(16,18-4)19-5)23(17,20-6)21-7/h9,11,15H,8,10,12H2,1-7H3
InChIKeyBGYAGCPXRWLCLD-UHFFFAOYSA-N
MW368.35 g/mol
LogP5.37
Rot. Bonds11

About 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene

9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene (PubChem CID 91194045) has the molecular formula C15H30O6P2 and a molecular weight of 368.35 g/mol. Its IUPAC name is 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene
PubChem CID91194045
Molecular FormulaC15H30O6P2
Molecular Weight368.35 g/mol
Exact Mass368.15
IUPAC Name9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene
SMILESCOP(=O)(OC)C(CC=C(C)CCC=C(C)C)P(=O)(OC)OC
InChIInChI=1S/C15H30O6P2/c1-13(2)9-8-10-14(3)11-12-15(22(16,18-4)19-5)23(17,20-6)21-7/h9,11,15H,8,10,12H2,1-7H3
InChIKeyBGYAGCPXRWLCLD-UHFFFAOYSA-N
XLogP5.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 55.37
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

SQ-34919
CID 10382597
2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
Geranyl diphosphate(3-)
CID 19379894
(2E, 6E)-farnesylbisphosphonate
CID 9871730
Geranyl biphosphonate
CID 10086833
((E)-8,12-Dimethyl-1-phosphono-trideca-7,11-dienyl)-phosphonic acid
CID 10339001
((E)-7,11-Dimethyl-1-phosphono-dodeca-6,10-dienyl)-phosphonic acid
CID 10405846
tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane
CID 15261217
[(5E,9E)-1-(Hydroxy-methoxymethyl-phosphinoyl)-6,10,14-trimethyl-pentadeca-5,9,13-trienyl]-phosphonic acid
CID 10003142
[(E)-1-(Hydroxy-methyl-phosphinoyl)-6,10-dimethyl-undeca-5,9-dienyl]-phosphonic acid
CID 10020005
((E)-5,9-Dimethyl-1-phosphono-deca-4,8-dienyl)-phosphonic acid
CID 10042032
[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium
CID 10087599

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene?
The IUPAC name of 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene (CID 91194045) is 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene?
The canonical SMILES for 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene is COP(=O)(OC)C(CC=C(C)CCC=C(C)C)P(=O)(OC)OC.
What is the InChIKey of 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene?
The InChIKey is BGYAGCPXRWLCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6P2/c1-13(2)9-8-10-14(3)11-12-15(22(16,18-4)19-5)23(17,20-6)21-7/h9,11,15H,8,10,12H2,1-7H3.
What are the key properties of 9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene?
9,9-bis(dimethoxyphosphoryl)-2,6-dimethylnona-2,6-diene has a molecular weight of 368.35 g/mol, XLogP of 5.37, 11 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-dimethylnona-2,6-diene is sourced from PubChem (CID 91194045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).