(E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal

C24H28O — CID 143637313

IUPAC(E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal
SMILESCC1(C)CCC(C)(C)c2cc(C3=CCC(/C=C/C=O)=CC=C3)ccc21
InChIInChI=1S/C24H28O/c1-23(2)14-15-24(3,4)22-17-20(12-13-21(22)23)19-9-5-7-18(10-11-19)8-6-16-25/h5-9,11-13,16-17H,10,14-15H2,1-4H3/b8-6+
InChIKeyUYURVUBVUPXIRG-SOFGYWHQSA-N
MW332.49 g/mol
LogP6.06
Rot. Bonds3

About (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal

(E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal (PubChem CID 143637313) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal
PubChem CID143637313
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name(E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal
SMILESCC1(C)CCC(C)(C)c2cc(C3=CCC(/C=C/C=O)=CC=C3)ccc21
InChIInChI=1S/C24H28O/c1-23(2)14-15-24(3,4)22-17-20(12-13-21(22)23)19-9-5-7-18(10-11-19)8-6-16-25/h5-9,11-13,16-17H,10,14-15H2,1-4H3/b8-6+
InChIKeyUYURVUBVUPXIRG-SOFGYWHQSA-N
XLogP6.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.06
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

6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 170942414
6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride
CID 67616689
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid
CID 170612242
trimethyl-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]silane
CID 156686707
3-methyl-5-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]penta-2,4-dienoic acid
CID 57075355
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
CID 18357939
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
4-(4-methylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan
CID 14726505
6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-3-amine
CID 116525884
(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69458848

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal?
The IUPAC name of (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal (CID 143637313) is (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal?
The canonical SMILES for (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal is CC1(C)CCC(C)(C)c2cc(C3=CCC(/C=C/C=O)=CC=C3)ccc21.
What is the InChIKey of (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal?
The InChIKey is UYURVUBVUPXIRG-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H28O/c1-23(2)14-15-24(3,4)22-17-20(12-13-21(22)23)19-9-5-7-18(10-11-19)8-6-16-25/h5-9,11-13,16-17H,10,14-15H2,1-4H3/b8-6+.
What are the key properties of (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal?
(E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal has a molecular weight of 332.49 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclohepta-1,3,5-trien-1-yl]prop-2-enal is sourced from PubChem (CID 143637313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).