methyl dipropan-2-yl phosphate

C7H17O4P — CID 3015341

IUPACmethyl dipropan-2-yl phosphate
SMILESCOP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C7H17O4P/c1-6(2)10-12(8,9-5)11-7(3)4/h6-7H,1-5H3
InChIKeyFKOZQALYXWKSAF-UHFFFAOYSA-N
MW196.18 g/mol
LogP2.59
Rot. Bonds5

About methyl dipropan-2-yl phosphate

methyl dipropan-2-yl phosphate (PubChem CID 3015341) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is methyl dipropan-2-yl phosphate.

Molecular Properties

Compound Namemethyl dipropan-2-yl phosphate
PubChem CID3015341
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Namemethyl dipropan-2-yl phosphate
SMILESCOP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C7H17O4P/c1-6(2)10-12(8,9-5)11-7(3)4/h6-7H,1-5H3
InChIKeyFKOZQALYXWKSAF-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 52.59
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

Tributyl Phosphate
CID 31357
Diisopropyl Fluorophosphate
CID 5936
Diisopropyl Methylphosphonate
CID 3073
Tetraisopropyl methylenediphosphonate
CID 74266
Monoisopropyl phosphate
CID 15391
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Diisopropyl phosphate
CID 74162
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Tripropyl phosphate
CID 10546
Diisopropyl Phosphorochloridate
CID 164989

Frequently Asked Questions

What is the IUPAC name of methyl dipropan-2-yl phosphate?
The IUPAC name of methyl dipropan-2-yl phosphate (CID 3015341) is methyl dipropan-2-yl phosphate.
What is the SMILES notation for methyl dipropan-2-yl phosphate?
The canonical SMILES for methyl dipropan-2-yl phosphate is COP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of methyl dipropan-2-yl phosphate?
The InChIKey is FKOZQALYXWKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-6(2)10-12(8,9-5)11-7(3)4/h6-7H,1-5H3.
What are the key properties of methyl dipropan-2-yl phosphate?
methyl dipropan-2-yl phosphate has a molecular weight of 196.18 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dipropan-2-yl phosphate is sourced from PubChem (CID 3015341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).