1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one

C10H17O3P — CID 174402708

IUPAC1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one
SMILESCC(C)(OP=O)C(=O)C1CCCCC1
InChIInChI=1S/C10H17O3P/c1-10(2,13-14-12)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyNBEURLWBGAQHCY-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.14
Rot. Bonds4

About 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one

1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one (PubChem CID 174402708) has the molecular formula C10H17O3P and a molecular weight of 216.22 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one
PubChem CID174402708
Molecular FormulaC10H17O3P
Molecular Weight216.22 g/mol
Exact Mass216.09
IUPAC Name1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one
SMILESCC(C)(OP=O)C(=O)C1CCCCC1
InChIInChI=1S/C10H17O3P/c1-10(2,13-14-12)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyNBEURLWBGAQHCY-UHFFFAOYSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-cyclohexyl-2-methyl-2-(methylamino)propan-1-one
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2-(azepan-1-yl)-1-cycloheptyl-2-methylpropan-1-one
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tert-butyl cyclododecanecarboxylate
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1-cyclopentyl-2-(dimethylamino)-2-methylpropan-1-one
CID 79047492
1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one
CID 153314263
1-cyclopentyl-2-methoxy-2-methylbutan-1-one
CID 116746785
1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one
CID 79053327
1-cyclopentyl-2,2,2-trifluoroethanone
CID 15002815
chloromethane;cyclohexanecarboxylic acid
CID 160928112

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one?
The IUPAC name of 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one (CID 174402708) is 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one?
The canonical SMILES for 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one is CC(C)(OP=O)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one?
The InChIKey is NBEURLWBGAQHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O3P/c1-10(2,13-14-12)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one?
1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one has a molecular weight of 216.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one is sourced from PubChem (CID 174402708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).