(2Z)-2-(1-phenylethylidene)heptadecanal

C25H40O — CID 142767247

IUPAC(2Z)-2-(1-phenylethylidene)heptadecanal
SMILESCCCCCCCCCCCCCCC/C(C=O)=C(\C)c1ccccc1
InChIInChI=1S/C25H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-25(22-26)23(2)24-19-17-15-18-20-24/h15,17-20,22H,3-14,16,21H2,1-2H3/b25-23-
InChIKeyYJTYTPBWUOYPMT-BZZOAKBMSA-N
MW356.59 g/mol
LogP8.14
Rot. Bonds16

About (2Z)-2-(1-phenylethylidene)heptadecanal

(2Z)-2-(1-phenylethylidene)heptadecanal (PubChem CID 142767247) has the molecular formula C25H40O and a molecular weight of 356.59 g/mol. Its IUPAC name is (2Z)-2-(1-phenylethylidene)heptadecanal.

Molecular Properties

Compound Name(2Z)-2-(1-phenylethylidene)heptadecanal
PubChem CID142767247
Molecular FormulaC25H40O
Molecular Weight356.59 g/mol
Exact Mass356.31
IUPAC Name(2Z)-2-(1-phenylethylidene)heptadecanal
SMILESCCCCCCCCCCCCCCC/C(C=O)=C(\C)c1ccccc1
InChIInChI=1S/C25H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-25(22-26)23(2)24-19-17-15-18-20-24/h15,17-20,22H,3-14,16,21H2,1-2H3/b25-23-
InChIKeyYJTYTPBWUOYPMT-BZZOAKBMSA-N
XLogP8.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 58.14
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

[(2E,4E)-5-butyl-3-hexylundeca-2,4-dien-2-yl]benzene
CID 11257173
1-phenylheptadecan-1-one
CID 577626
benzoic acid;octan-2-one
CID 174815510
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
(Z)-3-methyl-2-phenylundec-2-enoic acid
CID 152642360
hexane;1-phenylethanone
CID 160797049
decanal;1-phenylethanone
CID 161488656
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
[(Z)-non-3-en-4-yl]benzene
CID 101008148

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-phenylethylidene)heptadecanal?
The IUPAC name of (2Z)-2-(1-phenylethylidene)heptadecanal (CID 142767247) is (2Z)-2-(1-phenylethylidene)heptadecanal.
What is the SMILES notation for (2Z)-2-(1-phenylethylidene)heptadecanal?
The canonical SMILES for (2Z)-2-(1-phenylethylidene)heptadecanal is CCCCCCCCCCCCCCC/C(C=O)=C(\C)c1ccccc1.
What is the InChIKey of (2Z)-2-(1-phenylethylidene)heptadecanal?
The InChIKey is YJTYTPBWUOYPMT-BZZOAKBMSA-N. The full InChI is InChI=1S/C25H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-25(22-26)23(2)24-19-17-15-18-20-24/h15,17-20,22H,3-14,16,21H2,1-2H3/b25-23-.
What are the key properties of (2Z)-2-(1-phenylethylidene)heptadecanal?
(2Z)-2-(1-phenylethylidene)heptadecanal has a molecular weight of 356.59 g/mol, XLogP of 8.14, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-phenylethylidene)heptadecanal is sourced from PubChem (CID 142767247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).