2,2-dicyclohexyl-5-propyloctanal

C23H42O — CID 88668514

IUPAC2,2-dicyclohexyl-5-propyloctanal
SMILESCCCC(CCC)CCC(C=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H42O/c1-3-11-20(12-4-2)17-18-23(19-24,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h19-22H,3-18H2,1-2H3
InChIKeyCJMWBQNUDDGBLN-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.33
Rot. Bonds10

About 2,2-dicyclohexyl-5-propyloctanal

2,2-dicyclohexyl-5-propyloctanal (PubChem CID 88668514) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is 2,2-dicyclohexyl-5-propyloctanal.

Molecular Properties

Compound Name2,2-dicyclohexyl-5-propyloctanal
PubChem CID88668514
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name2,2-dicyclohexyl-5-propyloctanal
SMILESCCCC(CCC)CCC(C=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H42O/c1-3-11-20(12-4-2)17-18-23(19-24,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h19-22H,3-18H2,1-2H3
InChIKeyCJMWBQNUDDGBLN-UHFFFAOYSA-N
XLogP7.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.33
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 2,2-dicyclohexyl-5-propyloctanal?
The IUPAC name of 2,2-dicyclohexyl-5-propyloctanal (CID 88668514) is 2,2-dicyclohexyl-5-propyloctanal.
What is the SMILES notation for 2,2-dicyclohexyl-5-propyloctanal?
The canonical SMILES for 2,2-dicyclohexyl-5-propyloctanal is CCCC(CCC)CCC(C=O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexyl-5-propyloctanal?
The InChIKey is CJMWBQNUDDGBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O/c1-3-11-20(12-4-2)17-18-23(19-24,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h19-22H,3-18H2,1-2H3.
What are the key properties of 2,2-dicyclohexyl-5-propyloctanal?
2,2-dicyclohexyl-5-propyloctanal has a molecular weight of 334.59 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-5-propyloctanal is sourced from PubChem (CID 88668514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).