(E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene

C11H20ClO3P — CID 12644834

IUPAC(E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene
SMILESCC/C=C(CCC)/C(Cl)=C/P(=O)(OC)OC
InChIInChI=1S/C11H20ClO3P/c1-5-7-10(8-6-2)11(12)9-16(13,14-3)15-4/h7,9H,5-6,8H2,1-4H3/b10-7+,11-9-
InChIKeyPUMNAKUYBWNICN-BDFJVSTISA-N
MW266.70 g/mol
LogP4.69
Rot. Bonds7

About (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene

(E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene (PubChem CID 12644834) has the molecular formula C11H20ClO3P and a molecular weight of 266.70 g/mol. Its IUPAC name is (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene.

Molecular Properties

Compound Name(E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene
PubChem CID12644834
Molecular FormulaC11H20ClO3P
Molecular Weight266.70 g/mol
Exact Mass266.08
IUPAC Name(E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene
SMILESCC/C=C(CCC)/C(Cl)=C/P(=O)(OC)OC
InChIInChI=1S/C11H20ClO3P/c1-5-7-10(8-6-2)11(12)9-16(13,14-3)15-4/h7,9H,5-6,8H2,1-4H3/b10-7+,11-9-
InChIKeyPUMNAKUYBWNICN-BDFJVSTISA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl (2-chloro-4-methylcyclohexa-1,4-dien-1-yl)phosphonate
CID 129768401
(4-Chlorocyclohexa-1,3-dien-1-yl)methyl-diethoxyphosphane
CID 144582180
(3Z)-1-chloro-3-(diethoxyphosphorylmethylidene)cyclohexene
CID 10515790
(3E)-1-chloro-3-(diethoxyphosphorylmethylidene)cyclohexene
CID 10659311
(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 12644829
(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 12644830
(E)-4-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]hept-3-ene
CID 12644835
1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene
CID 12672248
1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
CID 12672249
1-[(Z)-1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene
CID 12672251
1-[(Z)-1-chloro-2-dibutoxyphosphorylethenyl]cyclohexene
CID 12672252
(1E,3E)-1-dimethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 14167105

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene?
The IUPAC name of (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene (CID 12644834) is (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene.
What is the SMILES notation for (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene?
The canonical SMILES for (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene is CC/C=C(CCC)/C(Cl)=C/P(=O)(OC)OC.
What is the InChIKey of (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene?
The InChIKey is PUMNAKUYBWNICN-BDFJVSTISA-N. The full InChI is InChI=1S/C11H20ClO3P/c1-5-7-10(8-6-2)11(12)9-16(13,14-3)15-4/h7,9H,5-6,8H2,1-4H3/b10-7+,11-9-.
What are the key properties of (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene?
(E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene has a molecular weight of 266.70 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]hept-3-ene is sourced from PubChem (CID 12644834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).