methyl [(E)-non-5-en-4-yl] carbonate

C11H20O3 — CID 101081248

IUPACmethyl [(E)-non-5-en-4-yl] carbonate
SMILESCCC/C=C/C(CCC)OC(=O)OC
InChIInChI=1S/C11H20O3/c1-4-6-7-9-10(8-5-2)14-11(12)13-3/h7,9-10H,4-6,8H2,1-3H3/b9-7+
InChIKeyUVEDLRGXQGXGIZ-VQHVLOKHSA-N
MW200.28 g/mol
LogP3.29
Rot. Bonds6

About methyl [(E)-non-5-en-4-yl] carbonate

methyl [(E)-non-5-en-4-yl] carbonate (PubChem CID 101081248) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl [(E)-non-5-en-4-yl] carbonate.

Molecular Properties

Compound Namemethyl [(E)-non-5-en-4-yl] carbonate
PubChem CID101081248
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl [(E)-non-5-en-4-yl] carbonate
SMILESCCC/C=C/C(CCC)OC(=O)OC
InChIInChI=1S/C11H20O3/c1-4-6-7-9-10(8-5-2)14-11(12)13-3/h7,9-10H,4-6,8H2,1-3H3/b9-7+
InChIKeyUVEDLRGXQGXGIZ-VQHVLOKHSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.29
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)-non-5-en-4-yl] carbonate?
The IUPAC name of methyl [(E)-non-5-en-4-yl] carbonate (CID 101081248) is methyl [(E)-non-5-en-4-yl] carbonate.
What is the SMILES notation for methyl [(E)-non-5-en-4-yl] carbonate?
The canonical SMILES for methyl [(E)-non-5-en-4-yl] carbonate is CCC/C=C/C(CCC)OC(=O)OC.
What is the InChIKey of methyl [(E)-non-5-en-4-yl] carbonate?
The InChIKey is UVEDLRGXQGXGIZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-6-7-9-10(8-5-2)14-11(12)13-3/h7,9-10H,4-6,8H2,1-3H3/b9-7+.
What are the key properties of methyl [(E)-non-5-en-4-yl] carbonate?
methyl [(E)-non-5-en-4-yl] carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E)-non-5-en-4-yl] carbonate is sourced from PubChem (CID 101081248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).