methyl pent-3-en-2-yl carbonate

C7H12O3 — CID 72978308

IUPACmethyl pent-3-en-2-yl carbonate
SMILESCC=CC(C)OC(=O)OC
InChIInChI=1S/C7H12O3/c1-4-5-6(2)10-7(8)9-3/h4-6H,1-3H3
InChIKeyUXSHLGXDFAEUFH-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.73
Rot. Bonds2

About methyl pent-3-en-2-yl carbonate

methyl pent-3-en-2-yl carbonate (PubChem CID 72978308) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl pent-3-en-2-yl carbonate.

Molecular Properties

Compound Namemethyl pent-3-en-2-yl carbonate
PubChem CID72978308
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl pent-3-en-2-yl carbonate
SMILESCC=CC(C)OC(=O)OC
InChIInChI=1S/C7H12O3/c1-4-5-6(2)10-7(8)9-3/h4-6H,1-3H3
InChIKeyUXSHLGXDFAEUFH-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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 pent-3-en-2-yl carbonate?
The IUPAC name of methyl pent-3-en-2-yl carbonate (CID 72978308) is methyl pent-3-en-2-yl carbonate.
What is the SMILES notation for methyl pent-3-en-2-yl carbonate?
The canonical SMILES for methyl pent-3-en-2-yl carbonate is CC=CC(C)OC(=O)OC.
What is the InChIKey of methyl pent-3-en-2-yl carbonate?
The InChIKey is UXSHLGXDFAEUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-5-6(2)10-7(8)9-3/h4-6H,1-3H3.
What are the key properties of methyl pent-3-en-2-yl carbonate?
methyl pent-3-en-2-yl carbonate has a molecular weight of 144.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pent-3-en-2-yl carbonate is sourced from PubChem (CID 72978308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).