3-(1-dimethoxyphosphorylethenoxy)cyclohexene

C10H17O4P — CID 15108739

IUPAC3-(1-dimethoxyphosphorylethenoxy)cyclohexene
SMILESC=C(OC1C=CCCC1)P(=O)(OC)OC
InChIInChI=1S/C10H17O4P/c1-9(15(11,12-2)13-3)14-10-7-5-4-6-8-10/h5,7,10H,1,4,6,8H2,2-3H3
InChIKeyJJIHWKRQSSNVIQ-UHFFFAOYSA-N
MW232.22 g/mol
LogP3.07
Rot. Bonds5

About 3-(1-dimethoxyphosphorylethenoxy)cyclohexene

3-(1-dimethoxyphosphorylethenoxy)cyclohexene (PubChem CID 15108739) has the molecular formula C10H17O4P and a molecular weight of 232.22 g/mol. Its IUPAC name is 3-(1-dimethoxyphosphorylethenoxy)cyclohexene.

Molecular Properties

Compound Name3-(1-dimethoxyphosphorylethenoxy)cyclohexene
PubChem CID15108739
Molecular FormulaC10H17O4P
Molecular Weight232.22 g/mol
Exact Mass232.09
IUPAC Name3-(1-dimethoxyphosphorylethenoxy)cyclohexene
SMILESC=C(OC1C=CCCC1)P(=O)(OC)OC
InChIInChI=1S/C10H17O4P/c1-9(15(11,12-2)13-3)14-10-7-5-4-6-8-10/h5,7,10H,1,4,6,8H2,2-3H3
InChIKeyJJIHWKRQSSNVIQ-UHFFFAOYSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-dimethoxyphosphorylethenoxy)cyclohexene?
The IUPAC name of 3-(1-dimethoxyphosphorylethenoxy)cyclohexene (CID 15108739) is 3-(1-dimethoxyphosphorylethenoxy)cyclohexene.
What is the SMILES notation for 3-(1-dimethoxyphosphorylethenoxy)cyclohexene?
The canonical SMILES for 3-(1-dimethoxyphosphorylethenoxy)cyclohexene is C=C(OC1C=CCCC1)P(=O)(OC)OC.
What is the InChIKey of 3-(1-dimethoxyphosphorylethenoxy)cyclohexene?
The InChIKey is JJIHWKRQSSNVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O4P/c1-9(15(11,12-2)13-3)14-10-7-5-4-6-8-10/h5,7,10H,1,4,6,8H2,2-3H3.
What are the key properties of 3-(1-dimethoxyphosphorylethenoxy)cyclohexene?
3-(1-dimethoxyphosphorylethenoxy)cyclohexene has a molecular weight of 232.22 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-dimethoxyphosphorylethenoxy)cyclohexene is sourced from PubChem (CID 15108739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).