4-(4-tert-butylcyclohexyl)benzaldehyde

C17H24O — CID 117363264

IUPAC4-(4-tert-butylcyclohexyl)benzaldehyde
SMILESCC(C)(C)C1CCC(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C17H24O/c1-17(2,3)16-10-8-15(9-11-16)14-6-4-13(12-18)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyRRPQLVRFQYMLMX-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.82
Rot. Bonds2

About 4-(4-tert-butylcyclohexyl)benzaldehyde

4-(4-tert-butylcyclohexyl)benzaldehyde (PubChem CID 117363264) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)benzaldehyde
PubChem CID117363264
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name4-(4-tert-butylcyclohexyl)benzaldehyde
SMILESCC(C)(C)C1CCC(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C17H24O/c1-17(2,3)16-10-8-15(9-11-16)14-6-4-13(12-18)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyRRPQLVRFQYMLMX-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.82
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-(4-tert-butylcyclohexyl)benzaldehyde?
The IUPAC name of 4-(4-tert-butylcyclohexyl)benzaldehyde (CID 117363264) is 4-(4-tert-butylcyclohexyl)benzaldehyde.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)benzaldehyde?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)benzaldehyde is CC(C)(C)C1CCC(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)benzaldehyde?
The InChIKey is RRPQLVRFQYMLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-17(2,3)16-10-8-15(9-11-16)14-6-4-13(12-18)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)benzaldehyde?
4-(4-tert-butylcyclohexyl)benzaldehyde has a molecular weight of 244.38 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)benzaldehyde is sourced from PubChem (CID 117363264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).