methyl [(E)-pent-2-en-3-yl] carbonate

C7H12O3 — CID 89313383

IUPACmethyl [(E)-pent-2-en-3-yl] carbonate
SMILESC/C=C(\CC)OC(=O)OC
InChIInChI=1S/C7H12O3/c1-4-6(5-2)10-7(8)9-3/h4H,5H2,1-3H3/b6-4+
InChIKeyPOWBZJZSLHECBK-GQCTYLIASA-N
MW144.17 g/mol
LogP2.08
Rot. Bonds2

About methyl [(E)-pent-2-en-3-yl] carbonate

methyl [(E)-pent-2-en-3-yl] carbonate (PubChem CID 89313383) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl [(E)-pent-2-en-3-yl] carbonate.

Molecular Properties

Compound Namemethyl [(E)-pent-2-en-3-yl] carbonate
PubChem CID89313383
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl [(E)-pent-2-en-3-yl] carbonate
SMILESC/C=C(\CC)OC(=O)OC
InChIInChI=1S/C7H12O3/c1-4-6(5-2)10-7(8)9-3/h4H,5H2,1-3H3/b6-4+
InChIKeyPOWBZJZSLHECBK-GQCTYLIASA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl [(E)-pent-2-en-3-yl] carbonate?
The IUPAC name of methyl [(E)-pent-2-en-3-yl] carbonate (CID 89313383) is methyl [(E)-pent-2-en-3-yl] carbonate.
What is the SMILES notation for methyl [(E)-pent-2-en-3-yl] carbonate?
The canonical SMILES for methyl [(E)-pent-2-en-3-yl] carbonate is C/C=C(\CC)OC(=O)OC.
What is the InChIKey of methyl [(E)-pent-2-en-3-yl] carbonate?
The InChIKey is POWBZJZSLHECBK-GQCTYLIASA-N. The full InChI is InChI=1S/C7H12O3/c1-4-6(5-2)10-7(8)9-3/h4H,5H2,1-3H3/b6-4+.
What are the key properties of methyl [(E)-pent-2-en-3-yl] carbonate?
methyl [(E)-pent-2-en-3-yl] carbonate has a molecular weight of 144.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E)-pent-2-en-3-yl] carbonate is sourced from PubChem (CID 89313383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).