2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one

C14H23O4P — CID 141060494

IUPAC2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one
SMILESCCCC1(C)COP(C(=O)C2CCCCC2)OC1=O
InChIInChI=1S/C14H23O4P/c1-3-9-14(2)10-17-19(18-13(14)16)12(15)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyYHXIDSDRARZJEG-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.79
Rot. Bonds4

About 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one

2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one (PubChem CID 141060494) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one.

Molecular Properties

Compound Name2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one
PubChem CID141060494
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one
SMILESCCCC1(C)COP(C(=O)C2CCCCC2)OC1=O
InChIInChI=1S/C14H23O4P/c1-3-9-14(2)10-17-19(18-13(14)16)12(15)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyYHXIDSDRARZJEG-UHFFFAOYSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.79
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

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CID 116569037
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CID 68683253
cyclohexyl(triethylsilyl)methanone
CID 15093454
2-cyclohexyl-5-ethyl-5-methyl-1,3-dioxan-4-one
CID 158347322
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1-cycloheptylpentan-1-one
CID 65399298
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
1-cyclopentylethanone;propane
CID 145026358
(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
CID 24977366
1-cyclohexyldecan-1-one
CID 63409715
N-propylcyclooctanecarboxamide
CID 65022755

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one?
The IUPAC name of 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one (CID 141060494) is 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one.
What is the SMILES notation for 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one?
The canonical SMILES for 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one is CCCC1(C)COP(C(=O)C2CCCCC2)OC1=O.
What is the InChIKey of 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one?
The InChIKey is YHXIDSDRARZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c1-3-9-14(2)10-17-19(18-13(14)16)12(15)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one?
2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one has a molecular weight of 286.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonyl)-5-methyl-5-propyl-1,3,2-dioxaphosphinan-4-one is sourced from PubChem (CID 141060494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).