4-(2-diethoxyphosphorylethyl)cyclohexan-1-one

C12H23O4P — CID 135075959

IUPAC4-(2-diethoxyphosphorylethyl)cyclohexan-1-one
SMILESCCOP(=O)(CCC1CCC(=O)CC1)OCC
InChIInChI=1S/C12H23O4P/c1-3-15-17(14,16-4-2)10-9-11-5-7-12(13)8-6-11/h11H,3-10H2,1-2H3
InChIKeyTWWAIPTWXWCUFB-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.40
Rot. Bonds7

About 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one

4-(2-diethoxyphosphorylethyl)cyclohexan-1-one (PubChem CID 135075959) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-diethoxyphosphorylethyl)cyclohexan-1-one
PubChem CID135075959
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name4-(2-diethoxyphosphorylethyl)cyclohexan-1-one
SMILESCCOP(=O)(CCC1CCC(=O)CC1)OCC
InChIInChI=1S/C12H23O4P/c1-3-15-17(14,16-4-2)10-9-11-5-7-12(13)8-6-11/h11H,3-10H2,1-2H3
InChIKeyTWWAIPTWXWCUFB-UHFFFAOYSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one?
The IUPAC name of 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one (CID 135075959) is 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one is CCOP(=O)(CCC1CCC(=O)CC1)OCC.
What is the InChIKey of 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one?
The InChIKey is TWWAIPTWXWCUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O4P/c1-3-15-17(14,16-4-2)10-9-11-5-7-12(13)8-6-11/h11H,3-10H2,1-2H3.
What are the key properties of 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one?
4-(2-diethoxyphosphorylethyl)cyclohexan-1-one has a molecular weight of 262.29 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diethoxyphosphorylethyl)cyclohexan-1-one is sourced from PubChem (CID 135075959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).