2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane

C13H29O3P — CID 566127

IUPAC2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane
SMILESCCCC(C)COP(C)(=O)OCC(C)CCC
InChIInChI=1S/C13H29O3P/c1-6-8-12(3)10-15-17(5,14)16-11-13(4)9-7-2/h12-13H,6-11H2,1-5H3
InChIKeyQFACHPGVPMEISN-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.71
Rot. Bonds10

About 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane

2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane (PubChem CID 566127) has the molecular formula C13H29O3P and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane
PubChem CID566127
Molecular FormulaC13H29O3P
Molecular Weight264.35 g/mol
Exact Mass264.19
IUPAC Name2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane
SMILESCCCC(C)COP(C)(=O)OCC(C)CCC
InChIInChI=1S/C13H29O3P/c1-6-8-12(3)10-15-17(5,14)16-11-13(4)9-7-2/h12-13H,6-11H2,1-5H3
InChIKeyQFACHPGVPMEISN-UHFFFAOYSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane
CID 567433
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
1-[butyl-(4-methoxy-2-methylbutoxy)phosphoryl]oxy-4-methoxy-2-methylbutane
CID 91701478
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249
(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
2-methylpentyl carbonofluoridate
CID 175528242
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
2-methylpentyl hypofluorite
CID 164530616
bis(2-methylpentoxy)-oxophosphanium
CID 20836442
2-methylpentyl bis(2-methylphenyl) phosphate
CID 154251425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane?
The IUPAC name of 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane (CID 566127) is 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane.
What is the SMILES notation for 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane?
The canonical SMILES for 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane is CCCC(C)COP(C)(=O)OCC(C)CCC.
What is the InChIKey of 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane?
The InChIKey is QFACHPGVPMEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P/c1-6-8-12(3)10-15-17(5,14)16-11-13(4)9-7-2/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane?
2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane has a molecular weight of 264.35 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane is sourced from PubChem (CID 566127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).