2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde

C9H14O2 — CID 130036011

IUPAC2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde
SMILESC=C(C)C1COCC1CC=O
InChIInChI=1S/C9H14O2/c1-7(2)9-6-11-5-8(9)3-4-10/h4,8-9H,1,3,5-6H2,2H3
InChIKeyWZLNHXJBHVBQFC-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.41
Rot. Bonds3

About 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde

2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde (PubChem CID 130036011) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde
PubChem CID130036011
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde
SMILESC=C(C)C1COCC1CC=O
InChIInChI=1S/C9H14O2/c1-7(2)9-6-11-5-8(9)3-4-10/h4,8-9H,1,3,5-6H2,2H3
InChIKeyWZLNHXJBHVBQFC-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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Related Compounds

2-[(3R,4R)-4-prop-1-en-2-yloxolan-3-yl]acetaldehyde
CID 101580037
(3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde
CID 102109582
2-[(3R,4S)-3-methyl-4-prop-1-en-2-yloxolan-3-yl]acetaldehyde
CID 134965594
(3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde
CID 102109584
2-(Oxolan-3-ylmethyl)prop-2-enal
CID 117266754
3-(Oxolan-3-yl)but-3-enal
CID 117268234
2-[(3S,4R)-3-methyl-4-prop-1-en-2-yloxolan-3-yl]acetaldehyde
CID 130972098
(3aS,4S,7aS)-7-methyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carbaldehyde
CID 132553710
(3aR,4R,7aS)-7-methyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carbaldehyde
CID 132553712
(3aR,4R,7aR)-7-methyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carbaldehyde
CID 132553713

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde (CID 130036011) is 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde is C=C(C)C1COCC1CC=O.
What is the InChIKey of 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde?
The InChIKey is WZLNHXJBHVBQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)9-6-11-5-8(9)3-4-10/h4,8-9H,1,3,5-6H2,2H3.
What are the key properties of 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde?
2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde 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 2-(4-prop-1-en-2-yloxolan-3-yl)acetaldehyde is sourced from PubChem (CID 130036011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).