3,6-bis(4-propan-2-ylphenyl)hexanal

C24H32O — CID 175140451

IUPAC3,6-bis(4-propan-2-ylphenyl)hexanal
SMILESCC(C)c1ccc(CCCC(CC=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H32O/c1-18(2)21-10-8-20(9-11-21)6-5-7-23(16-17-25)24-14-12-22(13-15-24)19(3)4/h8-15,17-19,23H,5-7,16H2,1-4H3
InChIKeyMDRXKNLQIDRHRJ-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.63
Rot. Bonds9

About 3,6-bis(4-propan-2-ylphenyl)hexanal

3,6-bis(4-propan-2-ylphenyl)hexanal (PubChem CID 175140451) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 3,6-bis(4-propan-2-ylphenyl)hexanal.

Molecular Properties

Compound Name3,6-bis(4-propan-2-ylphenyl)hexanal
PubChem CID175140451
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name3,6-bis(4-propan-2-ylphenyl)hexanal
SMILESCC(C)c1ccc(CCCC(CC=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H32O/c1-18(2)21-10-8-20(9-11-21)6-5-7-23(16-17-25)24-14-12-22(13-15-24)19(3)4/h8-15,17-19,23H,5-7,16H2,1-4H3
InChIKeyMDRXKNLQIDRHRJ-UHFFFAOYSA-N
XLogP6.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
2-methyl-4-(4-propan-2-ylphenyl)butanal
CID 64665585
3-(4-hydroxyphenyl)heptanal
CID 91485850
3-phenylheptanal
CID 10954355
2-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 171318112
ethane;3-(4-propan-2-ylphenyl)propane-1-thiol
CID 144873954
3-hydroxy-3-(4-propan-2-ylphenyl)propanal
CID 114795189
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
4-oxo-6-(4-propan-2-ylphenyl)-3-(4-propylphenyl)hexanal
CID 175130085
3-(4-pentan-3-ylphenyl)propanal
CID 117292920

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-propan-2-ylphenyl)hexanal?
The IUPAC name of 3,6-bis(4-propan-2-ylphenyl)hexanal (CID 175140451) is 3,6-bis(4-propan-2-ylphenyl)hexanal.
What is the SMILES notation for 3,6-bis(4-propan-2-ylphenyl)hexanal?
The canonical SMILES for 3,6-bis(4-propan-2-ylphenyl)hexanal is CC(C)c1ccc(CCCC(CC=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3,6-bis(4-propan-2-ylphenyl)hexanal?
The InChIKey is MDRXKNLQIDRHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-18(2)21-10-8-20(9-11-21)6-5-7-23(16-17-25)24-14-12-22(13-15-24)19(3)4/h8-15,17-19,23H,5-7,16H2,1-4H3.
What are the key properties of 3,6-bis(4-propan-2-ylphenyl)hexanal?
3,6-bis(4-propan-2-ylphenyl)hexanal has a molecular weight of 336.52 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-propan-2-ylphenyl)hexanal is sourced from PubChem (CID 175140451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).