methyl propan-2-yl carbonate

C5H10O3 — CID 7021530

IUPACmethyl propan-2-yl carbonate
SMILESCOC(=O)OC(C)C
InChIInChI=1S/C5H10O3/c1-4(2)8-5(6)7-3/h4H,1-3H3
InChIKeyRCIJMMSZBQEWKW-UHFFFAOYSA-N
MW118.13 g/mol
LogP1.18
Rot. Bonds1

About methyl propan-2-yl carbonate

methyl propan-2-yl carbonate (PubChem CID 7021530) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is methyl propan-2-yl carbonate.

Molecular Properties

Compound Namemethyl propan-2-yl carbonate
PubChem CID7021530
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namemethyl propan-2-yl carbonate
SMILESCOC(=O)OC(C)C
InChIInChI=1S/C5H10O3/c1-4(2)8-5(6)7-3/h4H,1-3H3
InChIKeyRCIJMMSZBQEWKW-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl propan-2-yl carbonate?
The IUPAC name of methyl propan-2-yl carbonate (CID 7021530) is methyl propan-2-yl carbonate.
What is the SMILES notation for methyl propan-2-yl carbonate?
The canonical SMILES for methyl propan-2-yl carbonate is COC(=O)OC(C)C.
What is the InChIKey of methyl propan-2-yl carbonate?
The InChIKey is RCIJMMSZBQEWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(2)8-5(6)7-3/h4H,1-3H3.
What are the key properties of methyl propan-2-yl carbonate?
methyl propan-2-yl carbonate has a molecular weight of 118.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propan-2-yl carbonate is sourced from PubChem (CID 7021530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).