but-2-enyl methyl carbonate

C6H10O3 — CID 54109296

IUPACbut-2-enyl methyl carbonate
SMILESCC=CCOC(=O)OC
InChIInChI=1S/C6H10O3/c1-3-4-5-9-6(7)8-2/h3-4H,5H2,1-2H3
InChIKeyNFYGBYGXNPTYBT-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.35
Rot. Bonds2

About but-2-enyl methyl carbonate

but-2-enyl methyl carbonate (PubChem CID 54109296) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is but-2-enyl methyl carbonate.

Molecular Properties

Compound Namebut-2-enyl methyl carbonate
PubChem CID54109296
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namebut-2-enyl methyl carbonate
SMILESCC=CCOC(=O)OC
InChIInChI=1S/C6H10O3/c1-3-4-5-9-6(7)8-2/h3-4H,5H2,1-2H3
InChIKeyNFYGBYGXNPTYBT-UHFFFAOYSA-N
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-enyl methyl carbonate?
The IUPAC name of but-2-enyl methyl carbonate (CID 54109296) is but-2-enyl methyl carbonate.
What is the SMILES notation for but-2-enyl methyl carbonate?
The canonical SMILES for but-2-enyl methyl carbonate is CC=CCOC(=O)OC.
What is the InChIKey of but-2-enyl methyl carbonate?
The InChIKey is NFYGBYGXNPTYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4-5-9-6(7)8-2/h3-4H,5H2,1-2H3.
What are the key properties of but-2-enyl methyl carbonate?
but-2-enyl methyl carbonate has a molecular weight of 130.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl methyl carbonate is sourced from PubChem (CID 54109296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).