2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal

C14H26O — CID 90410069

IUPAC2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal
SMILESCC(C=O)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C14H26O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-13H,5-9H2,1-4H3
InChIKeyYNODHHMFOJADOU-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds4

About 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal

2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal (PubChem CID 90410069) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal.

Molecular Properties

Compound Name2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal
PubChem CID90410069
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal
SMILESCC(C=O)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C14H26O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-13H,5-9H2,1-4H3
InChIKeyYNODHHMFOJADOU-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
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 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal?
The IUPAC name of 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal (CID 90410069) is 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal.
What is the SMILES notation for 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal?
The canonical SMILES for 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal is CC(C=O)CCC1C(C)CCCC1(C)C.
What is the InChIKey of 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal?
The InChIKey is YNODHHMFOJADOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal?
2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal has a molecular weight of 210.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal is sourced from PubChem (CID 90410069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).