1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene

C15H30O6P2 — CID 11760359

IUPAC1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene
SMILESCCOP(=O)(CC1CCCC=C1P(=O)(OCC)OCC)OCC
InChIInChI=1S/C15H30O6P2/c1-5-18-22(16,19-6-2)13-14-11-9-10-12-15(14)23(17,20-7-3)21-8-4/h12,14H,5-11,13H2,1-4H3
InChIKeyFXBAPXOHBJWMPW-UHFFFAOYSA-N
MW368.35 g/mol
LogP5.20
Rot. Bonds11

About 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene

1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene (PubChem CID 11760359) has the molecular formula C15H30O6P2 and a molecular weight of 368.35 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene
PubChem CID11760359
Molecular FormulaC15H30O6P2
Molecular Weight368.35 g/mol
Exact Mass368.15
IUPAC Name1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene
SMILESCCOP(=O)(CC1CCCC=C1P(=O)(OCC)OCC)OCC
InChIInChI=1S/C15H30O6P2/c1-5-18-22(16,19-6-2)13-14-11-9-10-12-15(14)23(17,20-7-3)21-8-4/h12,14H,5-11,13H2,1-4H3
InChIKeyFXBAPXOHBJWMPW-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

8-[Dimethoxyphosphorylmethyl(methoxy)phosphoryl]oxy-2,6-dimethyloct-2-ene
CID 395718
Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate
CID 277402
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
4,4-Bis(diethoxyphosphoryl)cyclohexene
CID 11110996
1-[Bis(diethoxyphosphoryl)methyl]cyclohexene
CID 85686325
(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene
CID 101401800
Dibutyl 2-methyl-3-cyclohexenylphosphonate
CID 129813652
Diethyl 2-methyl-3-cyclohexenylphosphonate
CID 129813730
Dibutyl 2,5-dimethyl-3-cyclohexenylphosphonate
CID 129813737
(E)-1,1-bis(diethoxyphosphoryl)-2-methyloct-2-ene
CID 134930270
9,9-Bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene
CID 134930337
9,9-Bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene
CID 134930338

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene?
The IUPAC name of 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene (CID 11760359) is 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene.
What is the SMILES notation for 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene?
The canonical SMILES for 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene is CCOP(=O)(CC1CCCC=C1P(=O)(OCC)OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene?
The InChIKey is FXBAPXOHBJWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6P2/c1-5-18-22(16,19-6-2)13-14-11-9-10-12-15(14)23(17,20-7-3)21-8-4/h12,14H,5-11,13H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene?
1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene has a molecular weight of 368.35 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-6-(diethoxyphosphorylmethyl)cyclohexene is sourced from PubChem (CID 11760359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).