1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene

C12H20ClO3P — CID 12672249

IUPAC1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
SMILESCCOP(=O)(/C=C(\Cl)C1=CCCCC1)OCC
InChIInChI=1S/C12H20ClO3P/c1-3-15-17(14,16-4-2)10-12(13)11-8-6-5-7-9-11/h8,10H,3-7,9H2,1-2H3/b12-10-
InChIKeyVVJGTOPGHXABBC-BENRWUELSA-N
MW278.72 g/mol
LogP4.83
Rot. Bonds6

About 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene

1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene (PubChem CID 12672249) has the molecular formula C12H20ClO3P and a molecular weight of 278.72 g/mol. Its IUPAC name is 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene.

Molecular Properties

Compound Name1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
PubChem CID12672249
Molecular FormulaC12H20ClO3P
Molecular Weight278.72 g/mol
Exact Mass278.08
IUPAC Name1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
SMILESCCOP(=O)(/C=C(\Cl)C1=CCCCC1)OCC
InChIInChI=1S/C12H20ClO3P/c1-3-15-17(14,16-4-2)10-12(13)11-8-6-5-7-9-11/h8,10H,3-7,9H2,1-2H3/b12-10-
InChIKeyVVJGTOPGHXABBC-BENRWUELSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene?
The IUPAC name of 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene (CID 12672249) is 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene.
What is the SMILES notation for 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene?
The canonical SMILES for 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene is CCOP(=O)(/C=C(\Cl)C1=CCCCC1)OCC.
What is the InChIKey of 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene?
The InChIKey is VVJGTOPGHXABBC-BENRWUELSA-N. The full InChI is InChI=1S/C12H20ClO3P/c1-3-15-17(14,16-4-2)10-12(13)11-8-6-5-7-9-11/h8,10H,3-7,9H2,1-2H3/b12-10-.
What are the key properties of 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene?
1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene has a molecular weight of 278.72 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene is sourced from PubChem (CID 12672249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).