2-diethoxyphosphoryl-2-methylcyclohexan-1-one

C11H21O4P — CID 11791525

IUPAC2-diethoxyphosphoryl-2-methylcyclohexan-1-one
SMILESCCOP(=O)(OCC)C1(C)CCCCC1=O
InChIInChI=1S/C11H21O4P/c1-4-14-16(13,15-5-2)11(3)9-7-6-8-10(11)12/h4-9H2,1-3H3
InChIKeyRWSPYXBUNMRNPA-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.15
Rot. Bonds5

About 2-diethoxyphosphoryl-2-methylcyclohexan-1-one

2-diethoxyphosphoryl-2-methylcyclohexan-1-one (PubChem CID 11791525) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-methylcyclohexan-1-one
PubChem CID11791525
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name2-diethoxyphosphoryl-2-methylcyclohexan-1-one
SMILESCCOP(=O)(OCC)C1(C)CCCCC1=O
InChIInChI=1S/C11H21O4P/c1-4-14-16(13,15-5-2)11(3)9-7-6-8-10(11)12/h4-9H2,1-3H3
InChIKeyRWSPYXBUNMRNPA-UHFFFAOYSA-N
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
2-diethoxyphosphoryl-3-[(1S)-1-methyl-2-oxocyclohexyl]propanoate
CID 23422027
tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate
CID 135025425
(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
CID 11424790
2,2-diethoxycyclodecan-1-one
CID 54056974
ethyl (1S)-1-methyl-2-oxocyclohexane-1-carboxylate
CID 67188808
ethyl 1-methyl-2-oxocycloheptane-1-carboxylate
CID 14667932
ethyl 1-methyl-2-oxocyclododecane-1-carboxylate
CID 101250461
2-diethoxyphosphoryl-2-methylpyrrolidine
CID 5007980
ethyl (1R)-1-chloro-2-oxocycloheptane-1-carboxylate
CID 101375354
azanium 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 2840419
(2S)-2-butyl-2-methylcyclohexan-1-one
CID 10080777

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-methylcyclohexan-1-one?
The IUPAC name of 2-diethoxyphosphoryl-2-methylcyclohexan-1-one (CID 11791525) is 2-diethoxyphosphoryl-2-methylcyclohexan-1-one.
What is the SMILES notation for 2-diethoxyphosphoryl-2-methylcyclohexan-1-one?
The canonical SMILES for 2-diethoxyphosphoryl-2-methylcyclohexan-1-one is CCOP(=O)(OCC)C1(C)CCCCC1=O.
What is the InChIKey of 2-diethoxyphosphoryl-2-methylcyclohexan-1-one?
The InChIKey is RWSPYXBUNMRNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-4-14-16(13,15-5-2)11(3)9-7-6-8-10(11)12/h4-9H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-2-methylcyclohexan-1-one?
2-diethoxyphosphoryl-2-methylcyclohexan-1-one has a molecular weight of 248.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-methylcyclohexan-1-one is sourced from PubChem (CID 11791525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).