(E)-2-benzyloct-2-enal

C15H20O — CID 23267291

IUPAC(E)-2-benzyloct-2-enal
SMILESCCCCC/C=C(/C=O)Cc1ccccc1
InChIInChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-11,13H,2-4,6,12H2,1H3/b15-11+
InChIKeyREMKEAGDKUJQAR-RVDMUPIBSA-N
MW216.32 g/mol
LogP3.93
Rot. Bonds7

About (E)-2-benzyloct-2-enal

(E)-2-benzyloct-2-enal (PubChem CID 23267291) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (E)-2-benzyloct-2-enal.

Molecular Properties

Compound Name(E)-2-benzyloct-2-enal
PubChem CID23267291
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(E)-2-benzyloct-2-enal
SMILESCCCCC/C=C(/C=O)Cc1ccccc1
InChIInChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-11,13H,2-4,6,12H2,1H3/b15-11+
InChIKeyREMKEAGDKUJQAR-RVDMUPIBSA-N
XLogP3.93
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 ≤ 53.93
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-benzyloct-2-enoate
CID 11010254
(E)-2-benzyl-3-iodoprop-2-enal
CID 166527118
2-octadecyldocos-2-enal
CID 54072385
2-hexylidenenonanal
CID 54074680
2-(phenylmethoxymethoxy)dodec-2-enal
CID 166757556
(E)-2-(phenylmethoxymethoxy)non-2-enal
CID 166757305
(2E,4E)-4-[2-(benzylamino)-2-oxoethyl]deca-2,4-dienoic acid
CID 174987194
1-N,1-N'-dibenzyloct-1-ene-1,1-diamine
CID 139931030
benzyl 2-methyloct-2-enoate
CID 154247203
2-pentylideneoctanal
CID 57053473
benzyl 2-methylhenicos-2-enoate
CID 174383758
butanal;1,3-diphenylpropan-2-one
CID 21492177

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzyloct-2-enal?
The IUPAC name of (E)-2-benzyloct-2-enal (CID 23267291) is (E)-2-benzyloct-2-enal.
What is the SMILES notation for (E)-2-benzyloct-2-enal?
The canonical SMILES for (E)-2-benzyloct-2-enal is CCCCC/C=C(/C=O)Cc1ccccc1.
What is the InChIKey of (E)-2-benzyloct-2-enal?
The InChIKey is REMKEAGDKUJQAR-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-11,13H,2-4,6,12H2,1H3/b15-11+.
What are the key properties of (E)-2-benzyloct-2-enal?
(E)-2-benzyloct-2-enal has a molecular weight of 216.32 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzyloct-2-enal is sourced from PubChem (CID 23267291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).