4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde

C22H34O — CID 145172633

IUPAC4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde
SMILESCCCC1CCC(C2CCC(C3C=CC(C=O)=CC3)CC2)CC1
InChIInChI=1S/C22H34O/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10,16-17,19-22H,2-5,8-9,11-15H2,1H3
InChIKeyDYSJTYSROZCVHI-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.10
Rot. Bonds5

About 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde

4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde (PubChem CID 145172633) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde
PubChem CID145172633
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde
SMILESCCCC1CCC(C2CCC(C3C=CC(C=O)=CC3)CC2)CC1
InChIInChI=1S/C22H34O/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10,16-17,19-22H,2-5,8-9,11-15H2,1H3
InChIKeyDYSJTYSROZCVHI-UHFFFAOYSA-N
XLogP6.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005327
2-(4-decylcyclohexyl)-5-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 139627529
5-(4-octylcyclohexyl)-2-(4-pentylcyclohexyl)cyclohexa-1,3-diene
CID 139627532
2,5-bis(4-decylcyclohexyl)cyclohexa-1,3-diene
CID 139627557
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 154528812
[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005523
1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
CID 138493592
1-bromo-4-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005697
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde?
The IUPAC name of 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde (CID 145172633) is 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde.
What is the SMILES notation for 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde?
The canonical SMILES for 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde is CCCC1CCC(C2CCC(C3C=CC(C=O)=CC3)CC2)CC1.
What is the InChIKey of 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde?
The InChIKey is DYSJTYSROZCVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10,16-17,19-22H,2-5,8-9,11-15H2,1H3.
What are the key properties of 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde?
4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde has a molecular weight of 314.51 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde is sourced from PubChem (CID 145172633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).