methane;methyl dipropan-2-yl phosphate

C8H21O4P — CID 158565801

IUPACmethane;methyl dipropan-2-yl phosphate
SMILESC.COP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C7H17O4P.CH4/c1-6(2)10-12(8,9-5)11-7(3)4;/h6-7H,1-5H3;1H4
InChIKeyHRLMYBJRKHKYPN-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.23
Rot. Bonds5

About methane;methyl dipropan-2-yl phosphate

methane;methyl dipropan-2-yl phosphate (PubChem CID 158565801) has the molecular formula C8H21O4P and a molecular weight of 212.23 g/mol. Its IUPAC name is methane;methyl dipropan-2-yl phosphate.

Molecular Properties

Compound Namemethane;methyl dipropan-2-yl phosphate
PubChem CID158565801
Molecular FormulaC8H21O4P
Molecular Weight212.23 g/mol
Exact Mass212.12
IUPAC Namemethane;methyl dipropan-2-yl phosphate
SMILESC.COP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C7H17O4P.CH4/c1-6(2)10-12(8,9-5)11-7(3)4;/h6-7H,1-5H3;1H4
InChIKeyHRLMYBJRKHKYPN-UHFFFAOYSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.23
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

difluoro propan-2-yl phosphate
CID 87647761
bis(2-di(propan-2-yl)phosphoryloxypropane);methane
CID 160822091
iodomethyl dipropan-2-yl phosphate
CID 150487701
2-methylpropyl dipropan-2-yl phosphate
CID 10728615
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-dimethylphosphoryloxypropane
CID 12572720
2-dimethoxyphosphoryloxypropanoic acid
CID 88549351
methyl (4-nitrophenyl) propan-2-yl phosphate
CID 71452799
copper bis(dipropan-2-yl phosphate)
CID 159825108
2-chloroethenyl dipropan-2-yl phosphate
CID 54160652
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-2-amine
CID 58400114
[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
CID 122697840

Frequently Asked Questions

What is the IUPAC name of methane;methyl dipropan-2-yl phosphate?
The IUPAC name of methane;methyl dipropan-2-yl phosphate (CID 158565801) is methane;methyl dipropan-2-yl phosphate.
What is the SMILES notation for methane;methyl dipropan-2-yl phosphate?
The canonical SMILES for methane;methyl dipropan-2-yl phosphate is C.COP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of methane;methyl dipropan-2-yl phosphate?
The InChIKey is HRLMYBJRKHKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P.CH4/c1-6(2)10-12(8,9-5)11-7(3)4;/h6-7H,1-5H3;1H4.
What are the key properties of methane;methyl dipropan-2-yl phosphate?
methane;methyl dipropan-2-yl phosphate has a molecular weight of 212.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl dipropan-2-yl phosphate is sourced from PubChem (CID 158565801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).