2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde

C8H14O3 — CID 106825166

IUPAC2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
SMILESCCOC1CC(O)(CC=O)C1
InChIInChI=1S/C8H14O3/c1-2-11-7-5-8(10,6-7)3-4-9/h4,7,10H,2-3,5-6H2,1H3
InChIKeyOTAZWZGXSPYJQS-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.51
Rot. Bonds4

About 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde

2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde (PubChem CID 106825166) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
PubChem CID106825166
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
SMILESCCOC1CC(O)(CC=O)C1
InChIInChI=1S/C8H14O3/c1-2-11-7-5-8(10,6-7)3-4-9/h4,7,10H,2-3,5-6H2,1H3
InChIKeyOTAZWZGXSPYJQS-UHFFFAOYSA-N
XLogP0.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218
1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol
CID 106824789
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
CID 106823216
1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823500
1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
CID 106823329
2-(1-hydroxy-4-methylsulfanyloxycyclohexyl)acetaldehyde
CID 144944682
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
CID 106823381
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
CID 106824079
1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823344
2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde
CID 114795274

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde?
The IUPAC name of 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde (CID 106825166) is 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde?
The canonical SMILES for 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde is CCOC1CC(O)(CC=O)C1.
What is the InChIKey of 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde?
The InChIKey is OTAZWZGXSPYJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-11-7-5-8(10,6-7)3-4-9/h4,7,10H,2-3,5-6H2,1H3.
What are the key properties of 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde?
2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde is sourced from PubChem (CID 106825166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).