4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde

C25H46O — CID 88959947

IUPAC4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde
SMILESCC1CCC(CCCCCCCCCCC2CCC(C=O)CC2)CC1C
InChIInChI=1S/C25H46O/c1-21-13-14-24(19-22(21)2)12-10-8-6-4-3-5-7-9-11-23-15-17-25(20-26)18-16-23/h20-25H,3-19H2,1-2H3
InChIKeyNYHHTHOZUSCPGY-UHFFFAOYSA-N
MW362.64 g/mol
LogP7.97
Rot. Bonds12

About 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde

4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde (PubChem CID 88959947) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde
PubChem CID88959947
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Name4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde
SMILESCC1CCC(CCCCCCCCCCC2CCC(C=O)CC2)CC1C
InChIInChI=1S/C25H46O/c1-21-13-14-24(19-22(21)2)12-10-8-6-4-3-5-7-9-11-23-15-17-25(20-26)18-16-23/h20-25H,3-19H2,1-2H3
InChIKeyNYHHTHOZUSCPGY-UHFFFAOYSA-N
XLogP7.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 57.97
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

4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
CID 88959924
4-[6-(2,4-dimethylcyclohexyl)hexyl]cyclohexane-1-carbaldehyde
CID 88959788
4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960037
5-(3,4-dimethylcyclohexyl)pentan-1-ol
CID 126691015
4-(8-methoxyoctyl)-1,2-dimethylcyclohexane
CID 143227384
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960047
6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 20810937
4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde
CID 54105713
4-but-3-enyl-1,2-dimethylcyclohexane
CID 59938338
4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde
CID 88959864
3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde
CID 88959977

Frequently Asked Questions

What is the IUPAC name of 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde (CID 88959947) is 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde is CC1CCC(CCCCCCCCCCC2CCC(C=O)CC2)CC1C.
What is the InChIKey of 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde?
The InChIKey is NYHHTHOZUSCPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O/c1-21-13-14-24(19-22(21)2)12-10-8-6-4-3-5-7-9-11-23-15-17-25(20-26)18-16-23/h20-25H,3-19H2,1-2H3.
What are the key properties of 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde?
4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde has a molecular weight of 362.64 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88959947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).