[(2S)-but-3-en-2-yl] methyl carbonate

C6H10O3 — CID 11126286

IUPAC[(2S)-but-3-en-2-yl] methyl carbonate
SMILESC=C[C@H](C)OC(=O)OC
InChIInChI=1S/C6H10O3/c1-4-5(2)9-6(7)8-3/h4-5H,1H2,2-3H3/t5-/m0/s1
InChIKeyBESCXQSGTKXFKJ-YFKPBYRVSA-N
MW130.14 g/mol
LogP1.34
Rot. Bonds2

About [(2S)-but-3-en-2-yl] methyl carbonate

[(2S)-but-3-en-2-yl] methyl carbonate (PubChem CID 11126286) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(2S)-but-3-en-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(2S)-but-3-en-2-yl] methyl carbonate
PubChem CID11126286
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(2S)-but-3-en-2-yl] methyl carbonate
SMILESC=C[C@H](C)OC(=O)OC
InChIInChI=1S/C6H10O3/c1-4-5(2)9-6(7)8-3/h4-5H,1H2,2-3H3/t5-/m0/s1
InChIKeyBESCXQSGTKXFKJ-YFKPBYRVSA-N
XLogP1.34
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 ≤ 51.34
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 [(2S)-but-3-en-2-yl] methyl carbonate?
The IUPAC name of [(2S)-but-3-en-2-yl] methyl carbonate (CID 11126286) is [(2S)-but-3-en-2-yl] methyl carbonate.
What is the SMILES notation for [(2S)-but-3-en-2-yl] methyl carbonate?
The canonical SMILES for [(2S)-but-3-en-2-yl] methyl carbonate is C=C[C@H](C)OC(=O)OC.
What is the InChIKey of [(2S)-but-3-en-2-yl] methyl carbonate?
The InChIKey is BESCXQSGTKXFKJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-5(2)9-6(7)8-3/h4-5H,1H2,2-3H3/t5-/m0/s1.
What are the key properties of [(2S)-but-3-en-2-yl] methyl carbonate?
[(2S)-but-3-en-2-yl] methyl carbonate has a molecular weight of 130.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-but-3-en-2-yl] methyl carbonate is sourced from PubChem (CID 11126286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).