benzyl 2-ethylnon-7-enoate

C18H26O2 — CID 151050476

IUPACbenzyl 2-ethylnon-7-enoate
SMILESCC=CCCCCC(CC)C(=O)OCc1ccccc1
InChIInChI=1S/C18H26O2/c1-3-5-6-7-11-14-17(4-2)18(19)20-15-16-12-9-8-10-13-16/h3,5,8-10,12-13,17H,4,6-7,11,14-15H2,1-2H3
InChIKeyMEADARFMBJYRMY-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.89
Rot. Bonds9

About benzyl 2-ethylnon-7-enoate

benzyl 2-ethylnon-7-enoate (PubChem CID 151050476) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is benzyl 2-ethylnon-7-enoate.

Molecular Properties

Compound Namebenzyl 2-ethylnon-7-enoate
PubChem CID151050476
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Namebenzyl 2-ethylnon-7-enoate
SMILESCC=CCCCCC(CC)C(=O)OCc1ccccc1
InChIInChI=1S/C18H26O2/c1-3-5-6-7-11-14-17(4-2)18(19)20-15-16-12-9-8-10-13-16/h3,5,8-10,12-13,17H,4,6-7,11,14-15H2,1-2H3
InChIKeyMEADARFMBJYRMY-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

7-phenylmethoxycarbonylnonanoic acid
CID 154313414
benzyl 2-ethylhexanoate;hydrochloride
CID 141200166
1-O-benzyl 8-O-tert-butyl 2-ethyloctanedioate
CID 175166959
benzyl 2-decyldodecanoate
CID 129279401
benzyl (Z)-hept-5-enoate
CID 163975250
benzyl 2-butylhexanoate
CID 175287311
benzyl 2-propyldecanoate
CID 175305414
2-ethylnon-7-enoic acid
CID 143730555
4-phenylmethoxycarbonyloctanoic acid
CID 68803226
2-ethyl-N-(4-phenylphenyl)non-7-enamide
CID 150409330
benzyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
CID 151994242
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290

Frequently Asked Questions

What is the IUPAC name of benzyl 2-ethylnon-7-enoate?
The IUPAC name of benzyl 2-ethylnon-7-enoate (CID 151050476) is benzyl 2-ethylnon-7-enoate.
What is the SMILES notation for benzyl 2-ethylnon-7-enoate?
The canonical SMILES for benzyl 2-ethylnon-7-enoate is CC=CCCCCC(CC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-ethylnon-7-enoate?
The InChIKey is MEADARFMBJYRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-5-6-7-11-14-17(4-2)18(19)20-15-16-12-9-8-10-13-16/h3,5,8-10,12-13,17H,4,6-7,11,14-15H2,1-2H3.
What are the key properties of benzyl 2-ethylnon-7-enoate?
benzyl 2-ethylnon-7-enoate has a molecular weight of 274.40 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-ethylnon-7-enoate is sourced from PubChem (CID 151050476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).