1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene

C14H24ClO3P — CID 23265271

IUPAC1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene
SMILESCCCOP(=O)(C=C(Cl)C1=CCCCC1)OCCC
InChIInChI=1S/C14H24ClO3P/c1-3-10-17-19(16,18-11-4-2)12-14(15)13-8-6-5-7-9-13/h8,12H,3-7,9-11H2,1-2H3
InChIKeyIOZHYLKHJSEATQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP5.61
Rot. Bonds8

About 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene

1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene (PubChem CID 23265271) has the molecular formula C14H24ClO3P and a molecular weight of 306.77 g/mol. Its IUPAC name is 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene.

Molecular Properties

Compound Name1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene
PubChem CID23265271
Molecular FormulaC14H24ClO3P
Molecular Weight306.77 g/mol
Exact Mass306.12
IUPAC Name1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene
SMILESCCCOP(=O)(C=C(Cl)C1=CCCCC1)OCCC
InChIInChI=1S/C14H24ClO3P/c1-3-10-17-19(16,18-11-4-2)12-14(15)13-8-6-5-7-9-13/h8,12H,3-7,9-11H2,1-2H3
InChIKeyIOZHYLKHJSEATQ-UHFFFAOYSA-N
XLogP5.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.77
LogP ≤ 55.61
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-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene?
The IUPAC name of 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene (CID 23265271) is 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene.
What is the SMILES notation for 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene?
The canonical SMILES for 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene is CCCOP(=O)(C=C(Cl)C1=CCCCC1)OCCC.
What is the InChIKey of 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene?
The InChIKey is IOZHYLKHJSEATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClO3P/c1-3-10-17-19(16,18-11-4-2)12-14(15)13-8-6-5-7-9-13/h8,12H,3-7,9-11H2,1-2H3.
What are the key properties of 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene?
1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene has a molecular weight of 306.77 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-dipropoxyphosphorylethenyl)cyclohexene is sourced from PubChem (CID 23265271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).