3-dimethylphosphoryloxycyclohexene

C8H15O2P — CID 138626238

IUPAC3-dimethylphosphoryloxycyclohexene
SMILESCP(C)(=O)OC1C=CCCC1
InChIInChI=1S/C8H15O2P/c1-11(2,9)10-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3
InChIKeyHBPBHDHYOTVKIN-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.65
Rot. Bonds2

About 3-dimethylphosphoryloxycyclohexene

3-dimethylphosphoryloxycyclohexene (PubChem CID 138626238) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is 3-dimethylphosphoryloxycyclohexene.

Molecular Properties

Compound Name3-dimethylphosphoryloxycyclohexene
PubChem CID138626238
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Name3-dimethylphosphoryloxycyclohexene
SMILESCP(C)(=O)OC1C=CCCC1
InChIInChI=1S/C8H15O2P/c1-11(2,9)10-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3
InChIKeyHBPBHDHYOTVKIN-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-dimethylphosphoryloxycyclohexene?
The IUPAC name of 3-dimethylphosphoryloxycyclohexene (CID 138626238) is 3-dimethylphosphoryloxycyclohexene.
What is the SMILES notation for 3-dimethylphosphoryloxycyclohexene?
The canonical SMILES for 3-dimethylphosphoryloxycyclohexene is CP(C)(=O)OC1C=CCCC1.
What is the InChIKey of 3-dimethylphosphoryloxycyclohexene?
The InChIKey is HBPBHDHYOTVKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c1-11(2,9)10-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 3-dimethylphosphoryloxycyclohexene?
3-dimethylphosphoryloxycyclohexene has a molecular weight of 174.18 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphoryloxycyclohexene is sourced from PubChem (CID 138626238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).