(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane

C7H16ClO2P — CID 129373323

IUPAC(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
SMILESC[C@@H](O[P@@](C)(=O)Cl)C(C)(C)C
InChIInChI=1S/C7H16ClO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3/t6-,11-/m1/s1
InChIKeyXVNBZVNXJMOQEX-KSBSHMNSSA-N
MW198.63 g/mol
LogP3.50
Rot. Bonds2

About (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane

(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane (PubChem CID 129373323) has the molecular formula C7H16ClO2P and a molecular weight of 198.63 g/mol. Its IUPAC name is (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane.

Molecular Properties

Compound Name(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
PubChem CID129373323
Molecular FormulaC7H16ClO2P
Molecular Weight198.63 g/mol
Exact Mass198.06
IUPAC Name(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
SMILESC[C@@H](O[P@@](C)(=O)Cl)C(C)(C)C
InChIInChI=1S/C7H16ClO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3/t6-,11-/m1/s1
InChIKeyXVNBZVNXJMOQEX-KSBSHMNSSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 53.50
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

2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane
CID 170850671
fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 87088573
calcium;3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;dihypochlorite;hydrate;hydrofluoride
CID 159721855
4-[bis(3,3-dimethylbutan-2-yloxy)phosphoryl]aniline
CID 3081066
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene
CID 12869475
3-[2-ethylsulfanylethylsulfanyl(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 90470717
4-(4-aminophenyl)aniline;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 174920168
2-methyl-2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
CID 171057571
2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
CID 151495462
2-dimethylphosphoryloxypropane
CID 12572720
[chloro-[chloro(methyl)phosphoryl]oxyphosphoryl]methane
CID 10987550

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane?
The IUPAC name of (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane (CID 129373323) is (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane.
What is the SMILES notation for (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane?
The canonical SMILES for (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane is C[C@@H](O[P@@](C)(=O)Cl)C(C)(C)C.
What is the InChIKey of (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane?
The InChIKey is XVNBZVNXJMOQEX-KSBSHMNSSA-N. The full InChI is InChI=1S/C7H16ClO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3/t6-,11-/m1/s1.
What are the key properties of (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane?
(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane has a molecular weight of 198.63 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane is sourced from PubChem (CID 129373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).