3-but-3-en-2-yloxolane-3-carbaldehyde

C9H14O2 — CID 126989641

IUPAC3-but-3-en-2-yloxolane-3-carbaldehyde
SMILESC=CC(C)C1(C=O)CCOC1
InChIInChI=1S/C9H14O2/c1-3-8(2)9(6-10)4-5-11-7-9/h3,6,8H,1,4-5,7H2,2H3
InChIKeyLUUZQAUIFDQECO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.41
Rot. Bonds3

About 3-but-3-en-2-yloxolane-3-carbaldehyde

3-but-3-en-2-yloxolane-3-carbaldehyde (PubChem CID 126989641) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-but-3-en-2-yloxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-but-3-en-2-yloxolane-3-carbaldehyde
PubChem CID126989641
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-but-3-en-2-yloxolane-3-carbaldehyde
SMILESC=CC(C)C1(C=O)CCOC1
InChIInChI=1S/C9H14O2/c1-3-8(2)9(6-10)4-5-11-7-9/h3,6,8H,1,4-5,7H2,2H3
InChIKeyLUUZQAUIFDQECO-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yloxolane-3-carbaldehyde?
The IUPAC name of 3-but-3-en-2-yloxolane-3-carbaldehyde (CID 126989641) is 3-but-3-en-2-yloxolane-3-carbaldehyde.
What is the SMILES notation for 3-but-3-en-2-yloxolane-3-carbaldehyde?
The canonical SMILES for 3-but-3-en-2-yloxolane-3-carbaldehyde is C=CC(C)C1(C=O)CCOC1.
What is the InChIKey of 3-but-3-en-2-yloxolane-3-carbaldehyde?
The InChIKey is LUUZQAUIFDQECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-8(2)9(6-10)4-5-11-7-9/h3,6,8H,1,4-5,7H2,2H3.
What are the key properties of 3-but-3-en-2-yloxolane-3-carbaldehyde?
3-but-3-en-2-yloxolane-3-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yloxolane-3-carbaldehyde is sourced from PubChem (CID 126989641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).