2-methylpropyl dipropan-2-yl phosphate

C10H23O4P — CID 10728615

IUPAC2-methylpropyl dipropan-2-yl phosphate
SMILESCC(C)COP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H23O4P/c1-8(2)7-12-15(11,13-9(3)4)14-10(5)6/h8-10H,7H2,1-6H3
InChIKeyJRBISAGZEVPYCD-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.62
Rot. Bonds7

About 2-methylpropyl dipropan-2-yl phosphate

2-methylpropyl dipropan-2-yl phosphate (PubChem CID 10728615) has the molecular formula C10H23O4P and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-methylpropyl dipropan-2-yl phosphate.

Molecular Properties

Compound Name2-methylpropyl dipropan-2-yl phosphate
PubChem CID10728615
Molecular FormulaC10H23O4P
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Name2-methylpropyl dipropan-2-yl phosphate
SMILESCC(C)COP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H23O4P/c1-8(2)7-12-15(11,13-9(3)4)14-10(5)6/h8-10H,7H2,1-6H3
InChIKeyJRBISAGZEVPYCD-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.62
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

iodomethyl dipropan-2-yl phosphate
CID 150487701
2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane
CID 175524065
bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate
CID 3030000
chloro methyl 2-methylpropyl phosphate
CID 118608255
2-methylpropyl phosphate
CID 22629809
bis(2-methylpropyl) pentyl phosphate
CID 54560421
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide
CID 140696375
propan-2-yl bis(prop-2-ynyl) phosphate
CID 23470653
methane;methyl dipropan-2-yl phosphate
CID 158565801
difluoro propan-2-yl phosphate
CID 87647761
butan-2-yl dipropan-2-yl phosphate
CID 71379379

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl dipropan-2-yl phosphate?
The IUPAC name of 2-methylpropyl dipropan-2-yl phosphate (CID 10728615) is 2-methylpropyl dipropan-2-yl phosphate.
What is the SMILES notation for 2-methylpropyl dipropan-2-yl phosphate?
The canonical SMILES for 2-methylpropyl dipropan-2-yl phosphate is CC(C)COP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-methylpropyl dipropan-2-yl phosphate?
The InChIKey is JRBISAGZEVPYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P/c1-8(2)7-12-15(11,13-9(3)4)14-10(5)6/h8-10H,7H2,1-6H3.
What are the key properties of 2-methylpropyl dipropan-2-yl phosphate?
2-methylpropyl dipropan-2-yl phosphate has a molecular weight of 238.26 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl dipropan-2-yl phosphate is sourced from PubChem (CID 10728615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).