3-ethylpentan-3-yl dimethyl phosphate

C9H21O4P — CID 57180784

IUPAC3-ethylpentan-3-yl dimethyl phosphate
SMILESCCC(CC)(CC)OP(=O)(OC)OC
InChIInChI=1S/C9H21O4P/c1-6-9(7-2,8-3)13-14(10,11-4)12-5/h6-8H2,1-5H3
InChIKeyFIOKKPQHRXMCQJ-UHFFFAOYSA-N
MW224.24 g/mol
LogP3.37
Rot. Bonds7

About 3-ethylpentan-3-yl dimethyl phosphate

3-ethylpentan-3-yl dimethyl phosphate (PubChem CID 57180784) has the molecular formula C9H21O4P and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-ethylpentan-3-yl dimethyl phosphate.

Molecular Properties

Compound Name3-ethylpentan-3-yl dimethyl phosphate
PubChem CID57180784
Molecular FormulaC9H21O4P
Molecular Weight224.24 g/mol
Exact Mass224.12
IUPAC Name3-ethylpentan-3-yl dimethyl phosphate
SMILESCCC(CC)(CC)OP(=O)(OC)OC
InChIInChI=1S/C9H21O4P/c1-6-9(7-2,8-3)13-14(10,11-4)12-5/h6-8H2,1-5H3
InChIKeyFIOKKPQHRXMCQJ-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 3-methylpent-1-yn-3-yl phosphate
CID 139925521
1,1-dihydroxyethyl dimethyl phosphate
CID 142647593
1,1-dichloroethyl dimethyl phosphate
CID 87919827
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
methyl bis(trifluoromethyl) phosphate
CID 87128096
2-dimethoxyphosphoryloxy-2-methylpropanoic acid
CID 123944469
diethoxy methyl phosphate
CID 154199840
[1-(1-hydroxy-3-methylhexan-3-yl)oxy-3-methylpentan-3-yl] dimethyl phosphate
CID 123254955
tert-butyl chloromethyl methyl phosphate
CID 89409373
tris(2-methoxy-1-propoxybutan-2-yl) phosphate
CID 87328429
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
chloromethyl dimethyl phosphate
CID 88544336

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-3-yl dimethyl phosphate?
The IUPAC name of 3-ethylpentan-3-yl dimethyl phosphate (CID 57180784) is 3-ethylpentan-3-yl dimethyl phosphate.
What is the SMILES notation for 3-ethylpentan-3-yl dimethyl phosphate?
The canonical SMILES for 3-ethylpentan-3-yl dimethyl phosphate is CCC(CC)(CC)OP(=O)(OC)OC.
What is the InChIKey of 3-ethylpentan-3-yl dimethyl phosphate?
The InChIKey is FIOKKPQHRXMCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O4P/c1-6-9(7-2,8-3)13-14(10,11-4)12-5/h6-8H2,1-5H3.
What are the key properties of 3-ethylpentan-3-yl dimethyl phosphate?
3-ethylpentan-3-yl dimethyl phosphate has a molecular weight of 224.24 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-3-yl dimethyl phosphate is sourced from PubChem (CID 57180784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).