1-dimethylphosphoryloxy-3-methylpentane

C8H19O2P — CID 154090861

IUPAC1-dimethylphosphoryloxy-3-methylpentane
SMILESCCC(C)CCOP(C)(C)=O
InChIInChI=1S/C8H19O2P/c1-5-8(2)6-7-10-11(3,4)9/h8H,5-7H2,1-4H3
InChIKeyDJIJRJXIJPRTHD-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.98
Rot. Bonds5

About 1-dimethylphosphoryloxy-3-methylpentane

1-dimethylphosphoryloxy-3-methylpentane (PubChem CID 154090861) has the molecular formula C8H19O2P and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-dimethylphosphoryloxy-3-methylpentane.

Molecular Properties

Compound Name1-dimethylphosphoryloxy-3-methylpentane
PubChem CID154090861
Molecular FormulaC8H19O2P
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC Name1-dimethylphosphoryloxy-3-methylpentane
SMILESCCC(C)CCOP(C)(C)=O
InChIInChI=1S/C8H19O2P/c1-5-8(2)6-7-10-11(3,4)9/h8H,5-7H2,1-4H3
InChIKeyDJIJRJXIJPRTHD-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dimethylphosphoryloxy-3-methylpentane 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

1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane
CID 574768
trimethyl-[methyl(3-methylpentoxy)phosphoryl]oxysilane
CID 91721359
(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
tris(5-methylheptyl) phosphate
CID 87189340
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
3-methyl-1-propoxypentane
CID 123388243
1,2,4-tris(dimethylphosphoryloxy)butane
CID 23081832
bis(3-methylpentoxy)-oxophosphanium
CID 174765578
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
CID 172857942
3-methylpentyl 2-methylbutanoate
CID 3019319
tris(3,7,11-trimethyldodecyl) phosphate
CID 54444487

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryloxy-3-methylpentane?
The IUPAC name of 1-dimethylphosphoryloxy-3-methylpentane (CID 154090861) is 1-dimethylphosphoryloxy-3-methylpentane.
What is the SMILES notation for 1-dimethylphosphoryloxy-3-methylpentane?
The canonical SMILES for 1-dimethylphosphoryloxy-3-methylpentane is CCC(C)CCOP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryloxy-3-methylpentane?
The InChIKey is DJIJRJXIJPRTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2P/c1-5-8(2)6-7-10-11(3,4)9/h8H,5-7H2,1-4H3.
What are the key properties of 1-dimethylphosphoryloxy-3-methylpentane?
1-dimethylphosphoryloxy-3-methylpentane has a molecular weight of 178.21 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryloxy-3-methylpentane is sourced from PubChem (CID 154090861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).