iodomethyl dipropan-2-yl phosphate

C7H16IO4P — CID 150487701

IUPACiodomethyl dipropan-2-yl phosphate
SMILESCC(C)OP(=O)(OCI)OC(C)C
InChIInChI=1S/C7H16IO4P/c1-6(2)11-13(9,10-5-8)12-7(3)4/h6-7H,5H2,1-4H3
InChIKeyHVDGWWPGYGXYGA-UHFFFAOYSA-N
MW322.08 g/mol
LogP3.35
Rot. Bonds6

About iodomethyl dipropan-2-yl phosphate

iodomethyl dipropan-2-yl phosphate (PubChem CID 150487701) has the molecular formula C7H16IO4P and a molecular weight of 322.08 g/mol. Its IUPAC name is iodomethyl dipropan-2-yl phosphate.

Molecular Properties

Compound Nameiodomethyl dipropan-2-yl phosphate
PubChem CID150487701
Molecular FormulaC7H16IO4P
Molecular Weight322.08 g/mol
Exact Mass321.98
IUPAC Nameiodomethyl dipropan-2-yl phosphate
SMILESCC(C)OP(=O)(OCI)OC(C)C
InChIInChI=1S/C7H16IO4P/c1-6(2)11-13(9,10-5-8)12-7(3)4/h6-7H,5H2,1-4H3
InChIKeyHVDGWWPGYGXYGA-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl dipropan-2-yl phosphate
CID 10728615
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
[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
CID 122697840
(2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol
CID 164776106
3-[butyl(pentyl)amino]propyl dipropan-2-yl phosphate
CID 171750182
2-dimethylphosphoryloxypropane
CID 12572720
[(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate
CID 164776105
2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane
CID 175183070

Frequently Asked Questions

What is the IUPAC name of iodomethyl dipropan-2-yl phosphate?
The IUPAC name of iodomethyl dipropan-2-yl phosphate (CID 150487701) is iodomethyl dipropan-2-yl phosphate.
What is the SMILES notation for iodomethyl dipropan-2-yl phosphate?
The canonical SMILES for iodomethyl dipropan-2-yl phosphate is CC(C)OP(=O)(OCI)OC(C)C.
What is the InChIKey of iodomethyl dipropan-2-yl phosphate?
The InChIKey is HVDGWWPGYGXYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IO4P/c1-6(2)11-13(9,10-5-8)12-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of iodomethyl dipropan-2-yl phosphate?
iodomethyl dipropan-2-yl phosphate has a molecular weight of 322.08 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl dipropan-2-yl phosphate is sourced from PubChem (CID 150487701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).