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

C10H16ClO3P — CID 12672248

IUPAC1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene
SMILESCOP(=O)(/C=C(\Cl)C1=CCCCC1)OC
InChIInChI=1S/C10H16ClO3P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3/b10-8-
InChIKeyXZXCOLFRJIEEAC-NTMALXAHSA-N
MW250.66 g/mol
LogP4.05
Rot. Bonds4

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

1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene (PubChem CID 12672248) has the molecular formula C10H16ClO3P and a molecular weight of 250.66 g/mol. Its IUPAC name is 1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene.

Molecular Properties

Compound Name1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene
PubChem CID12672248
Molecular FormulaC10H16ClO3P
Molecular Weight250.66 g/mol
Exact Mass250.05
IUPAC Name1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene
SMILESCOP(=O)(/C=C(\Cl)C1=CCCCC1)OC
InChIInChI=1S/C10H16ClO3P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3/b10-8-
InChIKeyXZXCOLFRJIEEAC-NTMALXAHSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 54.05
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-dimethoxyphosphorylethenyl]cyclohexene?
The IUPAC name of 1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene (CID 12672248) is 1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene.
What is the SMILES notation for 1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene?
The canonical SMILES for 1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene is COP(=O)(/C=C(\Cl)C1=CCCCC1)OC.
What is the InChIKey of 1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene?
The InChIKey is XZXCOLFRJIEEAC-NTMALXAHSA-N. The full InChI is InChI=1S/C10H16ClO3P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3/b10-8-.
What are the key properties of 1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene?
1-[(Z)-1-chloro-2-dimethoxyphosphorylethenyl]cyclohexene has a molecular weight of 250.66 g/mol, XLogP of 4.05, 4 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-dimethoxyphosphorylethenyl]cyclohexene is sourced from PubChem (CID 12672248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).