2,2,4-trimethyl-3-phosphorosopentane

C8H17OP — CID 54194977

IUPAC2,2,4-trimethyl-3-phosphorosopentane
SMILESCC(C)C(P=O)C(C)(C)C
InChIInChI=1S/C8H17OP/c1-6(2)7(10-9)8(3,4)5/h6-7H,1-5H3
InChIKeyPLDOQCGBDUCBJB-UHFFFAOYSA-N
MW160.20 g/mol
LogP3.35
Rot. Bonds2

About 2,2,4-trimethyl-3-phosphorosopentane

2,2,4-trimethyl-3-phosphorosopentane (PubChem CID 54194977) has the molecular formula C8H17OP and a molecular weight of 160.20 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-phosphorosopentane.

Molecular Properties

Compound Name2,2,4-trimethyl-3-phosphorosopentane
PubChem CID54194977
Molecular FormulaC8H17OP
Molecular Weight160.20 g/mol
Exact Mass160.10
IUPAC Name2,2,4-trimethyl-3-phosphorosopentane
SMILESCC(C)C(P=O)C(C)(C)C
InChIInChI=1S/C8H17OP/c1-6(2)7(10-9)8(3,4)5/h6-7H,1-5H3
InChIKeyPLDOQCGBDUCBJB-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,4-trimethyl-3-phosphorosopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethylbutan-2-olate
CID 59342742
1-chloro-1-phosphorosoethane;dihydrochloride
CID 174698766
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79250532
3,3-dimethylbutan-2-ylphosphane
CID 57029329
CID 123563572
CID 123563572
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
3-hydroxy-2-methyl-2-phosphorosobutanoic acid
CID 151397531
(2R)-3-methylbutan-2-amine
CID 6999786
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
3,3-dimethylbutane-2-sulfinyl chloride
CID 134894585
2,3,3-trimethylbutanoate
CID 18945621

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3-phosphorosopentane?
The IUPAC name of 2,2,4-trimethyl-3-phosphorosopentane (CID 54194977) is 2,2,4-trimethyl-3-phosphorosopentane.
What is the SMILES notation for 2,2,4-trimethyl-3-phosphorosopentane?
The canonical SMILES for 2,2,4-trimethyl-3-phosphorosopentane is CC(C)C(P=O)C(C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-3-phosphorosopentane?
The InChIKey is PLDOQCGBDUCBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OP/c1-6(2)7(10-9)8(3,4)5/h6-7H,1-5H3.
What are the key properties of 2,2,4-trimethyl-3-phosphorosopentane?
2,2,4-trimethyl-3-phosphorosopentane has a molecular weight of 160.20 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-phosphorosopentane is sourced from PubChem (CID 54194977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).