[(2Z)-2-benzylideneheptyl] formate

C15H20O2 — CID 6435834

IUPAC[(2Z)-2-benzylideneheptyl] formate
SMILESCCCCC/C(=C/c1ccccc1)COC=O
InChIInChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-
InChIKeyAWNFWGNFOOJDNO-PTNGSMBKSA-N
MW232.32 g/mol
LogP3.82
Rot. Bonds8

About [(2Z)-2-benzylideneheptyl] formate

[(2Z)-2-benzylideneheptyl] formate (PubChem CID 6435834) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(2Z)-2-benzylideneheptyl] formate.

Molecular Properties

Compound Name[(2Z)-2-benzylideneheptyl] formate
PubChem CID6435834
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(2Z)-2-benzylideneheptyl] formate
SMILESCCCCC/C(=C/c1ccccc1)COC=O
InChIInChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-
InChIKeyAWNFWGNFOOJDNO-PTNGSMBKSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzyl acetate
CID 8785
Cinnamyl Acetate
CID 5282110
Benzyl formate
CID 7708
Cinnamyl isobutyrate
CID 5355851
Benzaldehyde dimethyl acetal
CID 62375
3-Phenylpropyl isobutyrate
CID 7662
2-Phenylethyl formate
CID 7711
Benzyl propionate
CID 31219
3-Phenylpropyl acetate
CID 31226
Butyl Cinnamate
CID 5273465
Isoamyl Cinnamate
CID 5273467
Phenylethyl tiglate
CID 5357002

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-benzylideneheptyl] formate?
The IUPAC name of [(2Z)-2-benzylideneheptyl] formate (CID 6435834) is [(2Z)-2-benzylideneheptyl] formate.
What is the SMILES notation for [(2Z)-2-benzylideneheptyl] formate?
The canonical SMILES for [(2Z)-2-benzylideneheptyl] formate is CCCCC/C(=C/c1ccccc1)COC=O.
What is the InChIKey of [(2Z)-2-benzylideneheptyl] formate?
The InChIKey is AWNFWGNFOOJDNO-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-.
What are the key properties of [(2Z)-2-benzylideneheptyl] formate?
[(2Z)-2-benzylideneheptyl] formate has a molecular weight of 232.32 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-benzylideneheptyl] formate is sourced from PubChem (CID 6435834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).