6,6-diphenylhex-2-enal

C18H18O — CID 175012355

IUPAC6,6-diphenylhex-2-enal
SMILESO=CC=CCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c19-15-9-3-8-14-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-7,9-13,15,18H,8,14H2
InChIKeyMJSVGTVPGWHYMJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.35
Rot. Bonds6

About 6,6-diphenylhex-2-enal

6,6-diphenylhex-2-enal (PubChem CID 175012355) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 6,6-diphenylhex-2-enal.

Molecular Properties

Compound Name6,6-diphenylhex-2-enal
PubChem CID175012355
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name6,6-diphenylhex-2-enal
SMILESO=CC=CCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c19-15-9-3-8-14-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-7,9-13,15,18H,8,14H2
InChIKeyMJSVGTVPGWHYMJ-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-phenyloct-4-enyl]benzene
CID 143321928
(E)-5-phenylhept-2-enal
CID 122379804
(E)-6-phenylhex-2-enal
CID 5368478
4,4-diphenylbut-2-enal
CID 154401916
(2E)-6-methyl-5-phenylhepta-2,6-dienal
CID 10856505
3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane
CID 173230104
5-benzoyl-6-oxo-6-phenylhex-2-enal
CID 173141184
(2E,7E,9E)-11-phenylmethoxyundeca-2,7,9-trienal
CID 11818089
[(E)-6-oxohex-4-enyl] benzoate
CID 102059213
[(E)-hept-5-en-2-yl]benzene
CID 22172140
[3-(3,3-diphenylpropylsulfanyl)-1-phenylpropyl]benzene
CID 57070199
2-imino-5,5-diphenylpentanal
CID 138478208

Frequently Asked Questions

What is the IUPAC name of 6,6-diphenylhex-2-enal?
The IUPAC name of 6,6-diphenylhex-2-enal (CID 175012355) is 6,6-diphenylhex-2-enal.
What is the SMILES notation for 6,6-diphenylhex-2-enal?
The canonical SMILES for 6,6-diphenylhex-2-enal is O=CC=CCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 6,6-diphenylhex-2-enal?
The InChIKey is MJSVGTVPGWHYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c19-15-9-3-8-14-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-7,9-13,15,18H,8,14H2.
What are the key properties of 6,6-diphenylhex-2-enal?
6,6-diphenylhex-2-enal has a molecular weight of 250.34 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenylhex-2-enal is sourced from PubChem (CID 175012355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).