2-dimethoxyphosphorylethenylidenecyclohexane

C10H17O3P — CID 11074798

IUPAC2-dimethoxyphosphorylethenylidenecyclohexane
SMILESCOP(=O)(C=C=C1CCCCC1)OC
InChIInChI=1S/C10H17O3P/c1-12-14(11,13-2)9-8-10-6-4-3-5-7-10/h9H,3-7H2,1-2H3
InChIKeyFKCUBEUUMMJETN-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.48
Rot. Bonds3

About 2-dimethoxyphosphorylethenylidenecyclohexane

2-dimethoxyphosphorylethenylidenecyclohexane (PubChem CID 11074798) has the molecular formula C10H17O3P and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-dimethoxyphosphorylethenylidenecyclohexane.

Molecular Properties

Compound Name2-dimethoxyphosphorylethenylidenecyclohexane
PubChem CID11074798
Molecular FormulaC10H17O3P
Molecular Weight216.22 g/mol
Exact Mass216.09
IUPAC Name2-dimethoxyphosphorylethenylidenecyclohexane
SMILESCOP(=O)(C=C=C1CCCCC1)OC
InChIInChI=1S/C10H17O3P/c1-12-14(11,13-2)9-8-10-6-4-3-5-7-10/h9H,3-7H2,1-2H3
InChIKeyFKCUBEUUMMJETN-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.48
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 2-dimethoxyphosphorylethenylidenecyclohexane?
The IUPAC name of 2-dimethoxyphosphorylethenylidenecyclohexane (CID 11074798) is 2-dimethoxyphosphorylethenylidenecyclohexane.
What is the SMILES notation for 2-dimethoxyphosphorylethenylidenecyclohexane?
The canonical SMILES for 2-dimethoxyphosphorylethenylidenecyclohexane is COP(=O)(C=C=C1CCCCC1)OC.
What is the InChIKey of 2-dimethoxyphosphorylethenylidenecyclohexane?
The InChIKey is FKCUBEUUMMJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O3P/c1-12-14(11,13-2)9-8-10-6-4-3-5-7-10/h9H,3-7H2,1-2H3.
What are the key properties of 2-dimethoxyphosphorylethenylidenecyclohexane?
2-dimethoxyphosphorylethenylidenecyclohexane has a molecular weight of 216.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylethenylidenecyclohexane is sourced from PubChem (CID 11074798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).