3-(2-methylpropyl)oxetane-3-carbaldehyde

C8H14O2 — CID 19373329

IUPAC3-(2-methylpropyl)oxetane-3-carbaldehyde
SMILESCC(C)CC1(C=O)COC1
InChIInChI=1S/C8H14O2/c1-7(2)3-8(4-9)5-10-6-8/h4,7H,3,5-6H2,1-2H3
InChIKeyPZOPYKDKHORFPW-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.25
Rot. Bonds3

About 3-(2-methylpropyl)oxetane-3-carbaldehyde

3-(2-methylpropyl)oxetane-3-carbaldehyde (PubChem CID 19373329) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)oxetane-3-carbaldehyde.

Molecular Properties

Compound Name3-(2-methylpropyl)oxetane-3-carbaldehyde
PubChem CID19373329
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(2-methylpropyl)oxetane-3-carbaldehyde
SMILESCC(C)CC1(C=O)COC1
InChIInChI=1S/C8H14O2/c1-7(2)3-8(4-9)5-10-6-8/h4,7H,3,5-6H2,1-2H3
InChIKeyPZOPYKDKHORFPW-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)oxetane-3-carbaldehyde?
The IUPAC name of 3-(2-methylpropyl)oxetane-3-carbaldehyde (CID 19373329) is 3-(2-methylpropyl)oxetane-3-carbaldehyde.
What is the SMILES notation for 3-(2-methylpropyl)oxetane-3-carbaldehyde?
The canonical SMILES for 3-(2-methylpropyl)oxetane-3-carbaldehyde is CC(C)CC1(C=O)COC1.
What is the InChIKey of 3-(2-methylpropyl)oxetane-3-carbaldehyde?
The InChIKey is PZOPYKDKHORFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)3-8(4-9)5-10-6-8/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)oxetane-3-carbaldehyde?
3-(2-methylpropyl)oxetane-3-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)oxetane-3-carbaldehyde is sourced from PubChem (CID 19373329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).