4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde

C19H34O — CID 20633982

IUPAC4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
SMILESCCCCCC1CCC(CC2CCC(C=O)CC2)CC1
InChIInChI=1S/C19H34O/c1-2-3-4-5-16-6-8-17(9-7-16)14-18-10-12-19(15-20)13-11-18/h15-19H,2-14H2,1H3
InChIKeyXHLFWBYOMKUPRH-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.77
Rot. Bonds7

About 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde

4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 20633982) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
PubChem CID20633982
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
SMILESCCCCCC1CCC(CC2CCC(C=O)CC2)CC1
InChIInChI=1S/C19H34O/c1-2-3-4-5-16-6-8-17(9-7-16)14-18-10-12-19(15-20)13-11-18/h15-19H,2-14H2,1H3
InChIKeyXHLFWBYOMKUPRH-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.77
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

6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 20810937
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002
hexane;pentylcyclopropane
CID 159592467
4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960037
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde
CID 54105713
azane;hexylcyclopropane
CID 135322230
methane;molecular hydrogen;4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde;(3,4,5-trifluorophenyl) 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carboxylate
CID 159278842
4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
CID 88959924

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde (CID 20633982) is 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde is CCCCCC1CCC(CC2CCC(C=O)CC2)CC1.
What is the InChIKey of 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is XHLFWBYOMKUPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-2-3-4-5-16-6-8-17(9-7-16)14-18-10-12-19(15-20)13-11-18/h15-19H,2-14H2,1H3.
What are the key properties of 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde?
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 278.48 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 20633982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).