2-dimethylphosphoryl-3-methylbutan-2-ol

C7H17O2P — CID 22957307

IUPAC2-dimethylphosphoryl-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)P(C)(C)=O
InChIInChI=1S/C7H17O2P/c1-6(2)7(3,8)10(4,5)9/h6,8H,1-5H3
InChIKeyFHPZORSHLPVIMC-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.97
Rot. Bonds2

About 2-dimethylphosphoryl-3-methylbutan-2-ol

2-dimethylphosphoryl-3-methylbutan-2-ol (PubChem CID 22957307) has the molecular formula C7H17O2P and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-dimethylphosphoryl-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-dimethylphosphoryl-3-methylbutan-2-ol
PubChem CID22957307
Molecular FormulaC7H17O2P
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name2-dimethylphosphoryl-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)P(C)(C)=O
InChIInChI=1S/C7H17O2P/c1-6(2)7(3,8)10(4,5)9/h6,8H,1-5H3
InChIKeyFHPZORSHLPVIMC-UHFFFAOYSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
2,3-dimethyl(213C)butan-2-ol
CID 100985919
methyl(2,2,3-trimethylbutyl)phosphinic acid
CID 54072016
2,3-dimethylbutan-2-ol;titanium
CID 151633599
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
(3-ethyl-2-methylpentan-3-yl)phosphonic acid
CID 71437145
(2R)-2-hydroxy-2,3-dimethylbutanenitrile
CID 12650901
copper;formaldehyde;2-methylpropan-2-ol
CID 173085464
3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813
(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid
CID 130286975
2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxy-3-methylbutanoic acid
CID 87493639
3,4-dimethyl-3-sulfanylpentan-2-one
CID 88635465

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-3-methylbutan-2-ol?
The IUPAC name of 2-dimethylphosphoryl-3-methylbutan-2-ol (CID 22957307) is 2-dimethylphosphoryl-3-methylbutan-2-ol.
What is the SMILES notation for 2-dimethylphosphoryl-3-methylbutan-2-ol?
The canonical SMILES for 2-dimethylphosphoryl-3-methylbutan-2-ol is CC(C)C(C)(O)P(C)(C)=O.
What is the InChIKey of 2-dimethylphosphoryl-3-methylbutan-2-ol?
The InChIKey is FHPZORSHLPVIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2P/c1-6(2)7(3,8)10(4,5)9/h6,8H,1-5H3.
What are the key properties of 2-dimethylphosphoryl-3-methylbutan-2-ol?
2-dimethylphosphoryl-3-methylbutan-2-ol has a molecular weight of 164.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-3-methylbutan-2-ol is sourced from PubChem (CID 22957307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).