(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal

C23H34O — CID 173323218

IUPAC(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal
SMILESCCCCCC/C=C(/C=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H34O/c1-6-7-8-9-10-11-19(17-24)18-12-13-20-21(16-18)23(4,5)15-14-22(20,2)3/h11-13,16-17H,6-10,14-15H2,1-5H3/b19-11-
InChIKeyCLTZKTDFHVPSRJ-ODLFYWEKSA-N
MW326.52 g/mol
LogP6.59
Rot. Bonds7

About (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal

(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal (PubChem CID 173323218) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal.

Molecular Properties

Compound Name(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal
PubChem CID173323218
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal
SMILESCCCCCC/C=C(/C=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H34O/c1-6-7-8-9-10-11-19(17-24)18-12-13-20-21(16-18)23(4,5)15-14-22(20,2)3/h11-13,16-17H,6-10,14-15H2,1-5H3/b19-11-
InChIKeyCLTZKTDFHVPSRJ-ODLFYWEKSA-N
XLogP6.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.59
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

(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid
CID 70217965
4-[[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexadec-2-enoyl]amino]benzoic acid
CID 70216590
2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undec-2-enoylamino]benzoic acid
CID 67559413
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide
CID 67764044
6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 23002530
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hex-1-enyl]benzoic acid
CID 69104630
4-[hexyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 139786105
ethyl 3-[(2Z,4E)-1-oxo-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexa-2,4-dien-2-yl]benzoate
CID 19920651
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphane;hydrobromide
CID 173337353
6-[1-(4-dibutoxyphosphorylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 54268943
5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde
CID 23002510
4-oxo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid;zinc
CID 67884276

Frequently Asked Questions

What is the IUPAC name of (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal?
The IUPAC name of (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal (CID 173323218) is (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal.
What is the SMILES notation for (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal?
The canonical SMILES for (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal is CCCCCC/C=C(/C=O)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal?
The InChIKey is CLTZKTDFHVPSRJ-ODLFYWEKSA-N. The full InChI is InChI=1S/C23H34O/c1-6-7-8-9-10-11-19(17-24)18-12-13-20-21(16-18)23(4,5)15-14-22(20,2)3/h11-13,16-17H,6-10,14-15H2,1-5H3/b19-11-.
What are the key properties of (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal?
(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal has a molecular weight of 326.52 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal is sourced from PubChem (CID 173323218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).