butan-2-yl methyl carbonate

C6H12O3 — CID 15688891

IUPACbutan-2-yl methyl carbonate
SMILESCCC(C)OC(=O)OC
InChIInChI=1S/C6H12O3/c1-4-5(2)9-6(7)8-3/h5H,4H2,1-3H3
InChIKeyHDRNVUVZUTULFR-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.57
Rot. Bonds2

About butan-2-yl methyl carbonate

butan-2-yl methyl carbonate (PubChem CID 15688891) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is butan-2-yl methyl carbonate.

Molecular Properties

Compound Namebutan-2-yl methyl carbonate
PubChem CID15688891
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namebutan-2-yl methyl carbonate
SMILESCCC(C)OC(=O)OC
InChIInChI=1S/C6H12O3/c1-4-5(2)9-6(7)8-3/h5H,4H2,1-3H3
InChIKeyHDRNVUVZUTULFR-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl methyl carbonate?
The IUPAC name of butan-2-yl methyl carbonate (CID 15688891) is butan-2-yl methyl carbonate.
What is the SMILES notation for butan-2-yl methyl carbonate?
The canonical SMILES for butan-2-yl methyl carbonate is CCC(C)OC(=O)OC.
What is the InChIKey of butan-2-yl methyl carbonate?
The InChIKey is HDRNVUVZUTULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-5(2)9-6(7)8-3/h5H,4H2,1-3H3.
What are the key properties of butan-2-yl methyl carbonate?
butan-2-yl methyl carbonate has a molecular weight of 132.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl methyl carbonate is sourced from PubChem (CID 15688891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).