methyl [(E)-2-methylbut-2-enyl] carbonate

C7H12O3 — CID 10975605

IUPACmethyl [(E)-2-methylbut-2-enyl] carbonate
SMILESC/C=C(\C)COC(=O)OC
InChIInChI=1S/C7H12O3/c1-4-6(2)5-10-7(8)9-3/h4H,5H2,1-3H3/b6-4+
InChIKeyNAZKDPIKWKEQRQ-GQCTYLIASA-N
MW144.17 g/mol
LogP1.74
Rot. Bonds2

About methyl [(E)-2-methylbut-2-enyl] carbonate

methyl [(E)-2-methylbut-2-enyl] carbonate (PubChem CID 10975605) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl [(E)-2-methylbut-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(E)-2-methylbut-2-enyl] carbonate
PubChem CID10975605
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl [(E)-2-methylbut-2-enyl] carbonate
SMILESC/C=C(\C)COC(=O)OC
InChIInChI=1S/C7H12O3/c1-4-6(2)5-10-7(8)9-3/h4H,5H2,1-3H3/b6-4+
InChIKeyNAZKDPIKWKEQRQ-GQCTYLIASA-N
XLogP1.74
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 ≤ 51.74
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 methyl [(E)-2-methylbut-2-enyl] carbonate?
The IUPAC name of methyl [(E)-2-methylbut-2-enyl] carbonate (CID 10975605) is methyl [(E)-2-methylbut-2-enyl] carbonate.
What is the SMILES notation for methyl [(E)-2-methylbut-2-enyl] carbonate?
The canonical SMILES for methyl [(E)-2-methylbut-2-enyl] carbonate is C/C=C(\C)COC(=O)OC.
What is the InChIKey of methyl [(E)-2-methylbut-2-enyl] carbonate?
The InChIKey is NAZKDPIKWKEQRQ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H12O3/c1-4-6(2)5-10-7(8)9-3/h4H,5H2,1-3H3/b6-4+.
What are the key properties of methyl [(E)-2-methylbut-2-enyl] carbonate?
methyl [(E)-2-methylbut-2-enyl] carbonate has a molecular weight of 144.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E)-2-methylbut-2-enyl] carbonate is sourced from PubChem (CID 10975605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).