4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde

C23H28O — CID 91108589

IUPAC4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
SMILESCc1ccc(C=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O/c1-15-7-8-17(14-24)12-18(15)19-13-21-20(11-16(19)2)22(3,4)9-10-23(21,5)6/h7-8,11-14H,9-10H2,1-6H3
InChIKeyGGKCBWBGXBOEJA-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.13
Rot. Bonds2

About 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde

4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde (PubChem CID 91108589) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
PubChem CID91108589
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
SMILESCc1ccc(C=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O/c1-15-7-8-17(14-24)12-18(15)19-13-21-20(11-16(19)2)22(3,4)9-10-23(21,5)6/h7-8,11-14H,9-10H2,1-6H3
InChIKeyGGKCBWBGXBOEJA-UHFFFAOYSA-N
XLogP6.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.13
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 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde?
The IUPAC name of 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde (CID 91108589) is 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde.
What is the SMILES notation for 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde?
The canonical SMILES for 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde is Cc1ccc(C=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde?
The InChIKey is GGKCBWBGXBOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-15-7-8-17(14-24)12-18(15)19-13-21-20(11-16(19)2)22(3,4)9-10-23(21,5)6/h7-8,11-14H,9-10H2,1-6H3.
What are the key properties of 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde?
4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde has a molecular weight of 320.48 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde is sourced from PubChem (CID 91108589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).