4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde

C24H44O — CID 88960037

IUPAC4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
SMILESCCCC1CCCC(CCCCCCCCC2CCC(C=O)CC2)C1
InChIInChI=1S/C24H44O/c1-2-10-22-13-9-14-23(19-22)12-8-6-4-3-5-7-11-21-15-17-24(20-25)18-16-21/h20-24H,2-19H2,1H3
InChIKeyRCLQGNSZBGIROB-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.72
Rot. Bonds12

About 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde

4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde (PubChem CID 88960037) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
PubChem CID88960037
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
SMILESCCCC1CCCC(CCCCCCCCC2CCC(C=O)CC2)C1
InChIInChI=1S/C24H44O/c1-2-10-22-13-9-14-23(19-22)12-8-6-4-3-5-7-11-21-15-17-24(20-25)18-16-21/h20-24H,2-19H2,1H3
InChIKeyRCLQGNSZBGIROB-UHFFFAOYSA-N
XLogP7.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.72
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
4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
CID 88959924
4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde
CID 88959947
3-butylcyclohexane-1-carbaldehyde
CID 14619447
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
1,3-diheptylcyclohexane
CID 19973333
6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 139847553
(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 18603493
1,3-dipentylcyclohexane
CID 54105663
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
4-[6-(2,4-dimethylcyclohexyl)hexyl]cyclohexane-1-carbaldehyde
CID 88959788
6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 13039671

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde (CID 88960037) is 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde is CCCC1CCCC(CCCCCCCCC2CCC(C=O)CC2)C1.
What is the InChIKey of 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde?
The InChIKey is RCLQGNSZBGIROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O/c1-2-10-22-13-9-14-23(19-22)12-8-6-4-3-5-7-11-21-15-17-24(20-25)18-16-21/h20-24H,2-19H2,1H3.
What are the key properties of 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde?
4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde has a molecular weight of 348.62 g/mol, XLogP of 7.72, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88960037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).