benzyl [(Z)-non-4-enyl] carbonate

C17H24O3 — CID 135274084

IUPACbenzyl [(Z)-non-4-enyl] carbonate
SMILESCCCC/C=C\CCCOC(=O)OCc1ccccc1
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-11-14-19-17(18)20-15-16-12-9-8-10-13-16/h5-6,8-10,12-13H,2-4,7,11,14-15H2,1H3/b6-5-
InChIKeyMBAUPTBIQZDTSX-WAYWQWQTSA-N
MW276.38 g/mol
LogP4.87
Rot. Bonds9

About benzyl [(Z)-non-4-enyl] carbonate

benzyl [(Z)-non-4-enyl] carbonate (PubChem CID 135274084) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl [(Z)-non-4-enyl] carbonate.

Molecular Properties

Compound Namebenzyl [(Z)-non-4-enyl] carbonate
PubChem CID135274084
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namebenzyl [(Z)-non-4-enyl] carbonate
SMILESCCCC/C=C\CCCOC(=O)OCc1ccccc1
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-11-14-19-17(18)20-15-16-12-9-8-10-13-16/h5-6,8-10,12-13H,2-4,7,11,14-15H2,1H3/b6-5-
InChIKeyMBAUPTBIQZDTSX-WAYWQWQTSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.87
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

benzyl acetate;butyl acetate
CID 158391193
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
[(E)-20-[(4-aminophenyl)methoxycarbonyloxy]icos-10-enyl] (4-aminophenyl)methyl carbonate
CID 132600083
benzyl 2-hydroxyethyl carbonate
CID 139815197
heptyl 7-phenylheptyl carbonate
CID 67251382
undec-4-enoxymethylbenzene
CID 158781580
benzyl propanoate;butyl propanoate
CID 19966788
2-O-benzyl 3-O-butyl (2S,3R)-oxirane-2,3-dicarboxylate
CID 11161750
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
4-O-benzyl 1-O-decyl (Z)-but-2-enedioate
CID 5369272
benzyl [(E)-3-[butanoyl(butyl)amino]prop-2-enyl] carbonate
CID 174187417
bis[(E)-octadec-9-enyl] carbonate
CID 22342299

Frequently Asked Questions

What is the IUPAC name of benzyl [(Z)-non-4-enyl] carbonate?
The IUPAC name of benzyl [(Z)-non-4-enyl] carbonate (CID 135274084) is benzyl [(Z)-non-4-enyl] carbonate.
What is the SMILES notation for benzyl [(Z)-non-4-enyl] carbonate?
The canonical SMILES for benzyl [(Z)-non-4-enyl] carbonate is CCCC/C=C\CCCOC(=O)OCc1ccccc1.
What is the InChIKey of benzyl [(Z)-non-4-enyl] carbonate?
The InChIKey is MBAUPTBIQZDTSX-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-3-4-5-6-7-11-14-19-17(18)20-15-16-12-9-8-10-13-16/h5-6,8-10,12-13H,2-4,7,11,14-15H2,1H3/b6-5-.
What are the key properties of benzyl [(Z)-non-4-enyl] carbonate?
benzyl [(Z)-non-4-enyl] carbonate has a molecular weight of 276.38 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(Z)-non-4-enyl] carbonate is sourced from PubChem (CID 135274084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).