1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene

C14H24ClO3P — CID 23265270

IUPAC1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene
SMILESCC(C)OP(=O)(C=C(Cl)C1=CCCCC1)OC(C)C
InChIInChI=1S/C14H24ClO3P/c1-11(2)17-19(16,18-12(3)4)10-14(15)13-8-6-5-7-9-13/h8,10-12H,5-7,9H2,1-4H3
InChIKeyWPMOLBUQVOOAMQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP5.61
Rot. Bonds6

About 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene

1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene (PubChem CID 23265270) has the molecular formula C14H24ClO3P and a molecular weight of 306.77 g/mol. Its IUPAC name is 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene.

Molecular Properties

Compound Name1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene
PubChem CID23265270
Molecular FormulaC14H24ClO3P
Molecular Weight306.77 g/mol
Exact Mass306.12
IUPAC Name1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene
SMILESCC(C)OP(=O)(C=C(Cl)C1=CCCCC1)OC(C)C
InChIInChI=1S/C14H24ClO3P/c1-11(2)17-19(16,18-12(3)4)10-14(15)13-8-6-5-7-9-13/h8,10-12H,5-7,9H2,1-4H3
InChIKeyWPMOLBUQVOOAMQ-UHFFFAOYSA-N
XLogP5.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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-di(propan-2-yloxy)phosphorylethenyl]cyclohexene?
The IUPAC name of 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene (CID 23265270) is 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene.
What is the SMILES notation for 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene?
The canonical SMILES for 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene is CC(C)OP(=O)(C=C(Cl)C1=CCCCC1)OC(C)C.
What is the InChIKey of 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene?
The InChIKey is WPMOLBUQVOOAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClO3P/c1-11(2)17-19(16,18-12(3)4)10-14(15)13-8-6-5-7-9-13/h8,10-12H,5-7,9H2,1-4H3.
What are the key properties of 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene?
1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene has a molecular weight of 306.77 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexene is sourced from PubChem (CID 23265270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).