4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde

C16H28O — CID 10922549

IUPAC4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde
SMILESCCCC1CCC(C2CCC(C=O)CC2)CC1
InChIInChI=1S/C16H28O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h12-16H,2-11H2,1H3
InChIKeyMDRULEIRSQHRHT-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds4

About 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde

4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde (PubChem CID 10922549) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde
PubChem CID10922549
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde
SMILESCCCC1CCC(C2CCC(C=O)CC2)CC1
InChIInChI=1S/C16H28O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h12-16H,2-11H2,1H3
InChIKeyMDRULEIRSQHRHT-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde (CID 10922549) is 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde is CCCC1CCC(C2CCC(C=O)CC2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde?
The InChIKey is MDRULEIRSQHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h12-16H,2-11H2,1H3.
What are the key properties of 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde?
4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde has a molecular weight of 236.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 10922549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).