3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde

C23H42O — CID 88960047

IUPAC3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
SMILESCC1CC(C)CC(CCCCCCCCC2CCCC(C=O)C2)C1
InChIInChI=1S/C23H42O/c1-19-14-20(2)16-22(15-19)11-8-6-4-3-5-7-10-21-12-9-13-23(17-21)18-24/h18-23H,3-17H2,1-2H3
InChIKeyQAXALOGEZKAPAA-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.18
Rot. Bonds10

About 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde

3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde (PubChem CID 88960047) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
PubChem CID88960047
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
SMILESCC1CC(C)CC(CCCCCCCCC2CCCC(C=O)C2)C1
InChIInChI=1S/C23H42O/c1-19-14-20(2)16-22(15-19)11-8-6-4-3-5-7-10-21-12-9-13-23(17-21)18-24/h18-23H,3-17H2,1-2H3
InChIKeyQAXALOGEZKAPAA-UHFFFAOYSA-N
XLogP7.18
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 ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde
CID 88959977
3-butylcyclohexane-1-carbaldehyde
CID 14619447
3-(3-oxopropyl)cyclohexane-1-carbaldehyde
CID 21192038
4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960037
2-[7-(3-methylcyclohexyl)heptyl]cyclohexane-1-carbaldehyde
CID 88959726
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
CID 88959696
3-(3-oxopropyl)cyclohexane-1-carbaldehyde;4-(3-oxopropyl)cyclohexane-1-carbaldehyde
CID 139330246
4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
CID 88959924
1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
CID 158750937
4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde
CID 88959947

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde (CID 88960047) is 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde is CC1CC(C)CC(CCCCCCCCC2CCCC(C=O)C2)C1.
What is the InChIKey of 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde?
The InChIKey is QAXALOGEZKAPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O/c1-19-14-20(2)16-22(15-19)11-8-6-4-3-5-7-10-21-12-9-13-23(17-21)18-24/h18-23H,3-17H2,1-2H3.
What are the key properties of 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde?
3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde has a molecular weight of 334.59 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88960047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).