methyl [(Z)-4-methylpent-2-enyl] carbonate

C8H14O3 — CID 135079201

IUPACmethyl [(Z)-4-methylpent-2-enyl] carbonate
SMILESCOC(=O)OC/C=C\C(C)C
InChIInChI=1S/C8H14O3/c1-7(2)5-4-6-11-8(9)10-3/h4-5,7H,6H2,1-3H3/b5-4-
InChIKeyZUPQOXLKPRBUIX-PLNGDYQASA-N
MW158.20 g/mol
LogP1.98
Rot. Bonds3

About methyl [(Z)-4-methylpent-2-enyl] carbonate

methyl [(Z)-4-methylpent-2-enyl] carbonate (PubChem CID 135079201) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl [(Z)-4-methylpent-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(Z)-4-methylpent-2-enyl] carbonate
PubChem CID135079201
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl [(Z)-4-methylpent-2-enyl] carbonate
SMILESCOC(=O)OC/C=C\C(C)C
InChIInChI=1S/C8H14O3/c1-7(2)5-4-6-11-8(9)10-3/h4-5,7H,6H2,1-3H3/b5-4-
InChIKeyZUPQOXLKPRBUIX-PLNGDYQASA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.98
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 [(Z)-4-methylpent-2-enyl] carbonate?
The IUPAC name of methyl [(Z)-4-methylpent-2-enyl] carbonate (CID 135079201) is methyl [(Z)-4-methylpent-2-enyl] carbonate.
What is the SMILES notation for methyl [(Z)-4-methylpent-2-enyl] carbonate?
The canonical SMILES for methyl [(Z)-4-methylpent-2-enyl] carbonate is COC(=O)OC/C=C\C(C)C.
What is the InChIKey of methyl [(Z)-4-methylpent-2-enyl] carbonate?
The InChIKey is ZUPQOXLKPRBUIX-PLNGDYQASA-N. The full InChI is InChI=1S/C8H14O3/c1-7(2)5-4-6-11-8(9)10-3/h4-5,7H,6H2,1-3H3/b5-4-.
What are the key properties of methyl [(Z)-4-methylpent-2-enyl] carbonate?
methyl [(Z)-4-methylpent-2-enyl] carbonate has a molecular weight of 158.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(Z)-4-methylpent-2-enyl] carbonate is sourced from PubChem (CID 135079201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).