(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene

C11H24O6P2 — CID 14294563

IUPAC(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
SMILESCCOP(=O)(/C=C(\C)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H24O6P2/c1-6-14-18(12,15-7-2)10-11(5)19(13,16-8-3)17-9-4/h10H,6-9H2,1-5H3/b11-10+
InChIKeyZYVKKZFNUDPKFT-ZHACJKMWSA-N
MW314.25 g/mol
LogP4.38
Rot. Bonds10

About (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene

(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene (PubChem CID 14294563) has the molecular formula C11H24O6P2 and a molecular weight of 314.25 g/mol. Its IUPAC name is (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene.

Molecular Properties

Compound Name(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
PubChem CID14294563
Molecular FormulaC11H24O6P2
Molecular Weight314.25 g/mol
Exact Mass314.10
IUPAC Name(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
SMILESCCOP(=O)(/C=C(\C)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H24O6P2/c1-6-14-18(12,15-7-2)10-11(5)19(13,16-8-3)17-9-4/h10H,6-9H2,1-5H3/b11-10+
InChIKeyZYVKKZFNUDPKFT-ZHACJKMWSA-N
XLogP4.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.38
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

(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
2-diethoxyphosphoryl-1-ethoxyethenol
CID 15972171
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066
(E)-4-diethoxyphosphorylpent-3-enoate
CID 23615139
(1E,3Z)-4-diethoxyphosphoryl-1-ethoxybuta-1,3-diene-1,3-diol
CID 134871026
1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene
CID 71394158
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
bis(diethoxyphosphoryl)methanimine
CID 87803281
(Z)-1-diethoxyphosphoryl-2,3-dimethyl-3-nitrobut-1-ene
CID 23421847
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene?
The IUPAC name of (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene (CID 14294563) is (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene.
What is the SMILES notation for (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene?
The canonical SMILES for (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene is CCOP(=O)(/C=C(\C)P(=O)(OCC)OCC)OCC.
What is the InChIKey of (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene?
The InChIKey is ZYVKKZFNUDPKFT-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H24O6P2/c1-6-14-18(12,15-7-2)10-11(5)19(13,16-8-3)17-9-4/h10H,6-9H2,1-5H3/b11-10+.
What are the key properties of (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene?
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene has a molecular weight of 314.25 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(diethoxyphosphoryl)prop-1-ene is sourced from PubChem (CID 14294563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).