4-[(Z)-oct-1-enyl]benzaldehyde

C15H20O — CID 14617636

IUPAC4-[(Z)-oct-1-enyl]benzaldehyde
SMILESCCCCCC/C=C\c1ccc(C=O)cc1
InChIInChI=1S/C15H20O/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h7-13H,2-6H2,1H3/b8-7-
InChIKeyXZTGANGMACMFSP-FPLPWBNLSA-N
MW216.32 g/mol
LogP4.48
Rot. Bonds7

About 4-[(Z)-oct-1-enyl]benzaldehyde

4-[(Z)-oct-1-enyl]benzaldehyde (PubChem CID 14617636) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[(Z)-oct-1-enyl]benzaldehyde.

Molecular Properties

Compound Name4-[(Z)-oct-1-enyl]benzaldehyde
PubChem CID14617636
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-[(Z)-oct-1-enyl]benzaldehyde
SMILESCCCCCC/C=C\c1ccc(C=O)cc1
InChIInChI=1S/C15H20O/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h7-13H,2-6H2,1H3/b8-7-
InChIKeyXZTGANGMACMFSP-FPLPWBNLSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-oct-1-enyl]benzaldehyde?
The IUPAC name of 4-[(Z)-oct-1-enyl]benzaldehyde (CID 14617636) is 4-[(Z)-oct-1-enyl]benzaldehyde.
What is the SMILES notation for 4-[(Z)-oct-1-enyl]benzaldehyde?
The canonical SMILES for 4-[(Z)-oct-1-enyl]benzaldehyde is CCCCCC/C=C\c1ccc(C=O)cc1.
What is the InChIKey of 4-[(Z)-oct-1-enyl]benzaldehyde?
The InChIKey is XZTGANGMACMFSP-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H20O/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h7-13H,2-6H2,1H3/b8-7-.
What are the key properties of 4-[(Z)-oct-1-enyl]benzaldehyde?
4-[(Z)-oct-1-enyl]benzaldehyde has a molecular weight of 216.32 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-oct-1-enyl]benzaldehyde is sourced from PubChem (CID 14617636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).