3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde

C23H26O — CID 21185927

IUPAC3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde
SMILESC=C(c1cccc(C=O)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H26O/c1-16(18-8-6-7-17(13-18)15-24)19-9-10-20-21(14-19)23(4,5)12-11-22(20,2)3/h6-10,13-15H,1,11-12H2,2-5H3
InChIKeyFSKMUNDBTKZZLO-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.91
Rot. Bonds3

About 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde

3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde (PubChem CID 21185927) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde
PubChem CID21185927
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde
SMILESC=C(c1cccc(C=O)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H26O/c1-16(18-8-6-7-17(13-18)15-24)19-9-10-20-21(14-19)23(4,5)12-11-22(20,2)3/h6-10,13-15H,1,11-12H2,2-5H3
InChIKeyFSKMUNDBTKZZLO-UHFFFAOYSA-N
XLogP5.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde?
The IUPAC name of 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde (CID 21185927) is 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde?
The canonical SMILES for 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde is C=C(c1cccc(C=O)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde?
The InChIKey is FSKMUNDBTKZZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-16(18-8-6-7-17(13-18)15-24)19-9-10-20-21(14-19)23(4,5)12-11-22(20,2)3/h6-10,13-15H,1,11-12H2,2-5H3.
What are the key properties of 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde?
3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde has a molecular weight of 318.46 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde is sourced from PubChem (CID 21185927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).