2,2,3,6-tetramethylcyclohexane-1-carbaldehyde

C11H20O — CID 18791057

IUPAC2,2,3,6-tetramethylcyclohexane-1-carbaldehyde
SMILESCC1CCC(C)C(C)(C)C1C=O
InChIInChI=1S/C11H20O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h7-10H,5-6H2,1-4H3
InChIKeyUVCQKNYGJBEJLJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds1

About 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde

2,2,3,6-tetramethylcyclohexane-1-carbaldehyde (PubChem CID 18791057) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2,2,3,6-tetramethylcyclohexane-1-carbaldehyde
PubChem CID18791057
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2,3,6-tetramethylcyclohexane-1-carbaldehyde
SMILESCC1CCC(C)C(C)(C)C1C=O
InChIInChI=1S/C11H20O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h7-10H,5-6H2,1-4H3
InChIKeyUVCQKNYGJBEJLJ-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
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

(E)-4-[(1R,3S,6R)-2,2,3,6-tetramethylcyclohexyl]but-3-en-2-one
CID 102395529
4-[(1S,3S,6R)-2,2,3,6-tetramethylcyclohexyl]but-3-en-2-one
CID 155254907
(1S,2S,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carbaldehyde
CID 14106834
2-(2,2,3-trimethylcyclopentyl)acetaldehyde
CID 22414255
(E)-1-[(3R,6R)-2,2,3,6-tetramethylcyclohexyl]but-2-en-1-one
CID 59304075
methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
CID 142164429
trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
CID 93496108
(1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde
CID 102355175
2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane
CID 160551117
(4R)-3,3,4-trimethyl-2-oxocyclohexane-1-carbaldehyde
CID 90686947
(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982
(1R,2S,3aS,4R,6aS)-1,3a,4,6a-tetramethyl-1,2,3,4,5,6-hexahydropentalene-2-carbaldehyde
CID 12037157

Frequently Asked Questions

What is the IUPAC name of 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde?
The IUPAC name of 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde (CID 18791057) is 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde is CC1CCC(C)C(C)(C)C1C=O.
What is the InChIKey of 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde?
The InChIKey is UVCQKNYGJBEJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde?
2,2,3,6-tetramethylcyclohexane-1-carbaldehyde has a molecular weight of 168.28 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,6-tetramethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 18791057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).