2-(3,3-dimethylcyclobutyl)acetaldehyde

C8H14O — CID 131028083

IUPAC2-(3,3-dimethylcyclobutyl)acetaldehyde
SMILESCC1(C)CC(CC=O)C1
InChIInChI=1S/C8H14O/c1-8(2)5-7(6-8)3-4-9/h4,7H,3,5-6H2,1-2H3
InChIKeySNFNLHNHRQAMOD-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds2

About 2-(3,3-dimethylcyclobutyl)acetaldehyde

2-(3,3-dimethylcyclobutyl)acetaldehyde (PubChem CID 131028083) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(3,3-dimethylcyclobutyl)acetaldehyde
PubChem CID131028083
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-(3,3-dimethylcyclobutyl)acetaldehyde
SMILESCC1(C)CC(CC=O)C1
InChIInChI=1S/C8H14O/c1-8(2)5-7(6-8)3-4-9/h4,7H,3,5-6H2,1-2H3
InChIKeySNFNLHNHRQAMOD-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
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-(3,3-dimethylcyclobutyl)acetaldehyde?
The IUPAC name of 2-(3,3-dimethylcyclobutyl)acetaldehyde (CID 131028083) is 2-(3,3-dimethylcyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(3,3-dimethylcyclobutyl)acetaldehyde?
The canonical SMILES for 2-(3,3-dimethylcyclobutyl)acetaldehyde is CC1(C)CC(CC=O)C1.
What is the InChIKey of 2-(3,3-dimethylcyclobutyl)acetaldehyde?
The InChIKey is SNFNLHNHRQAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(2)5-7(6-8)3-4-9/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 2-(3,3-dimethylcyclobutyl)acetaldehyde?
2-(3,3-dimethylcyclobutyl)acetaldehyde has a molecular weight of 126.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclobutyl)acetaldehyde is sourced from PubChem (CID 131028083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).