methyl non-1-en-3-yl carbonate

C11H20O3 — CID 102291111

IUPACmethyl non-1-en-3-yl carbonate
SMILESC=CC(CCCCCC)OC(=O)OC
InChIInChI=1S/C11H20O3/c1-4-6-7-8-9-10(5-2)14-11(12)13-3/h5,10H,2,4,6-9H2,1,3H3
InChIKeyICZBOWQEJFPGSW-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.29
Rot. Bonds7

About methyl non-1-en-3-yl carbonate

methyl non-1-en-3-yl carbonate (PubChem CID 102291111) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl non-1-en-3-yl carbonate.

Molecular Properties

Compound Namemethyl non-1-en-3-yl carbonate
PubChem CID102291111
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl non-1-en-3-yl carbonate
SMILESC=CC(CCCCCC)OC(=O)OC
InChIInChI=1S/C11H20O3/c1-4-6-7-8-9-10(5-2)14-11(12)13-3/h5,10H,2,4,6-9H2,1,3H3
InChIKeyICZBOWQEJFPGSW-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl non-1-en-3-yl carbonate?
The IUPAC name of methyl non-1-en-3-yl carbonate (CID 102291111) is methyl non-1-en-3-yl carbonate.
What is the SMILES notation for methyl non-1-en-3-yl carbonate?
The canonical SMILES for methyl non-1-en-3-yl carbonate is C=CC(CCCCCC)OC(=O)OC.
What is the InChIKey of methyl non-1-en-3-yl carbonate?
The InChIKey is ICZBOWQEJFPGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-6-7-8-9-10(5-2)14-11(12)13-3/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of methyl non-1-en-3-yl carbonate?
methyl non-1-en-3-yl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl non-1-en-3-yl carbonate is sourced from PubChem (CID 102291111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).