3-[4-(4-methylcyclohexyl)cyclohexyl]propanal

C16H28O — CID 172757928

IUPAC3-[4-(4-methylcyclohexyl)cyclohexyl]propanal
SMILESCC1CCC(C2CCC(CCC=O)CC2)CC1
InChIInChI=1S/C16H28O/c1-13-4-8-15(9-5-13)16-10-6-14(7-11-16)3-2-12-17/h12-16H,2-11H2,1H3
InChIKeyLGZUHKXWXZHUNI-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds4

About 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal

3-[4-(4-methylcyclohexyl)cyclohexyl]propanal (PubChem CID 172757928) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal.

Molecular Properties

Compound Name3-[4-(4-methylcyclohexyl)cyclohexyl]propanal
PubChem CID172757928
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3-[4-(4-methylcyclohexyl)cyclohexyl]propanal
SMILESCC1CCC(C2CCC(CCC=O)CC2)CC1
InChIInChI=1S/C16H28O/c1-13-4-8-15(9-5-13)16-10-6-14(7-11-16)3-2-12-17/h12-16H,2-11H2,1H3
InChIKeyLGZUHKXWXZHUNI-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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Related Compounds

1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
3-[4-(2-hydroxy-2-methylpropyl)cyclohexyl]propanal
CID 155166872
1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 54243786
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
CID 158715477
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal?
The IUPAC name of 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal (CID 172757928) is 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal.
What is the SMILES notation for 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal?
The canonical SMILES for 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal is CC1CCC(C2CCC(CCC=O)CC2)CC1.
What is the InChIKey of 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal?
The InChIKey is LGZUHKXWXZHUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-13-4-8-15(9-5-13)16-10-6-14(7-11-16)3-2-12-17/h12-16H,2-11H2,1H3.
What are the key properties of 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal?
3-[4-(4-methylcyclohexyl)cyclohexyl]propanal 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 3-[4-(4-methylcyclohexyl)cyclohexyl]propanal is sourced from PubChem (CID 172757928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).