2-methylpropyl phosphate

C4H9O4P-2 — CID 22629809

IUPAC2-methylpropyl phosphate
SMILESCC(C)COP(=O)([O-])[O-]
InChIInChI=1S/C4H11O4P/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)/p-2
InChIKeySVBLDLLXNRGMBG-UHFFFAOYSA-L
MW152.09 g/mol
LogP-0.51
Rot. Bonds3

About 2-methylpropyl phosphate

2-methylpropyl phosphate (PubChem CID 22629809) has the molecular formula C4H9O4P-2 and a molecular weight of 152.09 g/mol. Its IUPAC name is 2-methylpropyl phosphate.

Molecular Properties

Compound Name2-methylpropyl phosphate
PubChem CID22629809
Molecular FormulaC4H9O4P-2
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name2-methylpropyl phosphate
SMILESCC(C)COP(=O)([O-])[O-]
InChIInChI=1S/C4H11O4P/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)/p-2
InChIKeySVBLDLLXNRGMBG-UHFFFAOYSA-L
XLogP-0.51
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 5-0.51
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

Triethyl Phosphate
CID 6535
Triisobutyl phosphate
CID 31355
Dipropyl phosphate
CID 74544
2-Methylpropyl dihydrogen phosphate
CID 75574
2-Methylpropyl Hydrogen (R)-Methylphosphonate
CID 15764431
1-Butanol, 3-methyl-, 1-(dihydrogen phosphate)
CID 75573
Diisobutyl hydrogen phosphate
CID 80550
Diisobutyl methylphosphonate
CID 566101
Diethyl phosphoric acid
CID 5166299
Isopentyl Pyrophosphate
CID 448400
Phosphoric acid, diethyl propyl ester
CID 69943
Ethyl dimethyl phosphate
CID 82641

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl phosphate?
The IUPAC name of 2-methylpropyl phosphate (CID 22629809) is 2-methylpropyl phosphate.
What is the SMILES notation for 2-methylpropyl phosphate?
The canonical SMILES for 2-methylpropyl phosphate is CC(C)COP(=O)([O-])[O-].
What is the InChIKey of 2-methylpropyl phosphate?
The InChIKey is SVBLDLLXNRGMBG-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O4P/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)/p-2.
What are the key properties of 2-methylpropyl phosphate?
2-methylpropyl phosphate has a molecular weight of 152.09 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl phosphate is sourced from PubChem (CID 22629809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).