2-methyl-2-phosphorosooxypropane

C4H9O2P — CID 11094593

IUPAC2-methyl-2-phosphorosooxypropane
SMILESCC(C)(C)OP=O
InChIInChI=1S/C4H9O2P/c1-4(2,3)6-7-5/h1-3H3
InChIKeyNBEWWMZWMMDVDW-UHFFFAOYSA-N
MW120.09 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-2-phosphorosooxypropane

2-methyl-2-phosphorosooxypropane (PubChem CID 11094593) has the molecular formula C4H9O2P and a molecular weight of 120.09 g/mol. Its IUPAC name is 2-methyl-2-phosphorosooxypropane.

Molecular Properties

Compound Name2-methyl-2-phosphorosooxypropane
PubChem CID11094593
Molecular FormulaC4H9O2P
Molecular Weight120.09 g/mol
Exact Mass120.03
IUPAC Name2-methyl-2-phosphorosooxypropane
SMILESCC(C)(C)OP=O
InChIInChI=1S/C4H9O2P/c1-4(2,3)6-7-5/h1-3H3
InChIKeyNBEWWMZWMMDVDW-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bis(1,1-dimethylethyl) phosphonate
CID 6335290
Phosphoric acid, tris(1,1-dimethylethyl) ester
CID 567509
tert-Butyl phosphate
CID 150997
DI-Tert-butyl methylphosphonate
CID 2785301
Ditert-butyl phosphate
CID 4191557
Phosphoric acid,mono(1,1-dimethylethyl) ester
CID 13998867
Dimethylethyl dihydrogen phosphite
CID 17780648
2-Methyl-2-propyl methylphosphonofluoridate
CID 567264
Methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
CID 10630538
Tert-butyl difluoro phosphate
CID 87222061
Ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
CID 87384012
Fluoro-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 160478847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phosphorosooxypropane?
The IUPAC name of 2-methyl-2-phosphorosooxypropane (CID 11094593) is 2-methyl-2-phosphorosooxypropane.
What is the SMILES notation for 2-methyl-2-phosphorosooxypropane?
The canonical SMILES for 2-methyl-2-phosphorosooxypropane is CC(C)(C)OP=O.
What is the InChIKey of 2-methyl-2-phosphorosooxypropane?
The InChIKey is NBEWWMZWMMDVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2P/c1-4(2,3)6-7-5/h1-3H3.
What are the key properties of 2-methyl-2-phosphorosooxypropane?
2-methyl-2-phosphorosooxypropane has a molecular weight of 120.09 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phosphorosooxypropane is sourced from PubChem (CID 11094593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).