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

C9H14O2 — CID 131113947

IUPAC3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde
SMILESC=C(C)CC1(C=O)CCOC1
InChIInChI=1S/C9H14O2/c1-8(2)5-9(6-10)3-4-11-7-9/h6H,1,3-5,7H2,2H3
InChIKeyCZDDMGZDGSELRI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds3

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

3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde (PubChem CID 131113947) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde
PubChem CID131113947
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde
SMILESC=C(C)CC1(C=O)CCOC1
InChIInChI=1S/C9H14O2/c1-8(2)5-9(6-10)3-4-11-7-9/h6H,1,3-5,7H2,2H3
InChIKeyCZDDMGZDGSELRI-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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-(2-methylprop-2-enyl)oxolane-3-carbaldehyde?
The IUPAC name of 3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde (CID 131113947) is 3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde?
The canonical SMILES for 3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde is C=C(C)CC1(C=O)CCOC1.
What is the InChIKey of 3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde?
The InChIKey is CZDDMGZDGSELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(2)5-9(6-10)3-4-11-7-9/h6H,1,3-5,7H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde?
3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 131113947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).