4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde

C24H44O — CID 88959924

IUPAC4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
SMILESCC1CCC(CCCCCCCCCC2CCC(C=O)CC2)CC1C
InChIInChI=1S/C24H44O/c1-20-12-13-23(18-21(20)2)11-9-7-5-3-4-6-8-10-22-14-16-24(19-25)17-15-22/h19-24H,3-18H2,1-2H3
InChIKeyRRNOODSCICQZKX-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.57
Rot. Bonds11

About 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde

4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde (PubChem CID 88959924) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
PubChem CID88959924
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
SMILESCC1CCC(CCCCCCCCCC2CCC(C=O)CC2)CC1C
InChIInChI=1S/C24H44O/c1-20-12-13-23(18-21(20)2)11-9-7-5-3-4-6-8-10-22-14-16-24(19-25)17-15-22/h19-24H,3-18H2,1-2H3
InChIKeyRRNOODSCICQZKX-UHFFFAOYSA-N
XLogP7.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.57
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

Myrtanal
CID 165266
Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-
CID 103695
Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
CID 108415
Adamantane-2-carbaldehyde
CID 12470455
4-(Propan-2-yl)cyclohexane-1-carbaldehyde
CID 17964795
Cyclohexaneacetaldehyde, 4-(1-methylethyl)-
CID 175577
4'-trans-Propyl-1,1'-bicyclohexyl-4-trans-carboxaldehyde
CID 10922549
(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexane-1-carbaldehyde
CID 11252239
rel-(1R,6S)-2,2,6-Trimethylcyclohexanecarboxaldehyde
CID 11607949
2-Methyl-4-(2,2,6-trimethylcyclohexyl)butanal
CID 90410069
Bicyclo(2.2.2)octane-2-carbaldehyde
CID 12578362
(trans,trans)-4a(2)-Butyl[1,1a(2)-bicyclohexyl]-4-carboxaldehyde
CID 15001779

Frequently Asked Questions

What is the IUPAC name of 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde (CID 88959924) is 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde is CC1CCC(CCCCCCCCCC2CCC(C=O)CC2)CC1C.
What is the InChIKey of 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde?
The InChIKey is RRNOODSCICQZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O/c1-20-12-13-23(18-21(20)2)11-9-7-5-3-4-6-8-10-22-14-16-24(19-25)17-15-22/h19-24H,3-18H2,1-2H3.
What are the key properties of 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde?
4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde has a molecular weight of 348.62 g/mol, XLogP of 7.57, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88959924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).