3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde

C10H16O2 — CID 131025290

IUPAC3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde
SMILESCC(C)=CCC1(C=O)CCOC1
InChIInChI=1S/C10H16O2/c1-9(2)3-4-10(7-11)5-6-12-8-10/h3,7H,4-6,8H2,1-2H3
InChIKeyQUWCYEXJINRLIO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde

3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde (PubChem CID 131025290) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde
PubChem CID131025290
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde
SMILESCC(C)=CCC1(C=O)CCOC1
InChIInChI=1S/C10H16O2/c1-9(2)3-4-10(7-11)5-6-12-8-10/h3,7H,4-6,8H2,1-2H3
InChIKeyQUWCYEXJINRLIO-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
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-(3-methylbut-2-enyl)oxolane-3-carbaldehyde?
The IUPAC name of 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde (CID 131025290) is 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde?
The canonical SMILES for 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde is CC(C)=CCC1(C=O)CCOC1.
What is the InChIKey of 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde?
The InChIKey is QUWCYEXJINRLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)3-4-10(7-11)5-6-12-8-10/h3,7H,4-6,8H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde?
3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 131025290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).