methyl [(E)-oct-4-enyl] carbonate

C10H18O3 — CID 118976612

IUPACmethyl [(E)-oct-4-enyl] carbonate
SMILESCCC/C=C/CCCOC(=O)OC
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-8-9-13-10(11)12-2/h5-6H,3-4,7-9H2,1-2H3/b6-5+
InChIKeyCWFVUSYRNNVGGY-AATRIKPKSA-N
MW186.25 g/mol
LogP2.91
Rot. Bonds6

About methyl [(E)-oct-4-enyl] carbonate

methyl [(E)-oct-4-enyl] carbonate (PubChem CID 118976612) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl [(E)-oct-4-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(E)-oct-4-enyl] carbonate
PubChem CID118976612
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl [(E)-oct-4-enyl] carbonate
SMILESCCC/C=C/CCCOC(=O)OC
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-8-9-13-10(11)12-2/h5-6H,3-4,7-9H2,1-2H3/b6-5+
InChIKeyCWFVUSYRNNVGGY-AATRIKPKSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.91
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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Related Compounds

[(Z)-oct-4-enyl] 3-methylbutanoate
CID 5352818
[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate
CID 58579282
bis[(E)-octadec-9-enyl] carbonate
CID 22342299
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
azane;methyl tetradecyl carbonate
CID 118914581
[(4E,9E)-tetradeca-4,9-dienyl] acetate
CID 87225023
bis(octadec-9-enyl) 2,3-diethoxybutanedioate
CID 123401106
decyl octadeca-9,12-dienyl carbonate
CID 54461571
octadeca-9,12-dienyl octadecyl carbonate
CID 54353662
1-O-methyl 4-O-octadec-9-enyl 2,3-dihydroxybutanedioate
CID 173456836
methyl (Z)-hexadec-12-enoate
CID 10978485

Frequently Asked Questions

What is the IUPAC name of methyl [(E)-oct-4-enyl] carbonate?
The IUPAC name of methyl [(E)-oct-4-enyl] carbonate (CID 118976612) is methyl [(E)-oct-4-enyl] carbonate.
What is the SMILES notation for methyl [(E)-oct-4-enyl] carbonate?
The canonical SMILES for methyl [(E)-oct-4-enyl] carbonate is CCC/C=C/CCCOC(=O)OC.
What is the InChIKey of methyl [(E)-oct-4-enyl] carbonate?
The InChIKey is CWFVUSYRNNVGGY-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-7-8-9-13-10(11)12-2/h5-6H,3-4,7-9H2,1-2H3/b6-5+.
What are the key properties of methyl [(E)-oct-4-enyl] carbonate?
methyl [(E)-oct-4-enyl] carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E)-oct-4-enyl] carbonate is sourced from PubChem (CID 118976612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).