2-but-3-en-2-yloxybutanal

C8H14O2 — CID 123762687

IUPAC2-but-3-en-2-yloxybutanal
SMILESC=CC(C)OC(C=O)CC
InChIInChI=1S/C8H14O2/c1-4-7(3)10-8(5-2)6-9/h4,6-8H,1,5H2,2-3H3
InChIKeyZRWQCBSBYQHTLK-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.55
Rot. Bonds5

About 2-but-3-en-2-yloxybutanal

2-but-3-en-2-yloxybutanal (PubChem CID 123762687) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-but-3-en-2-yloxybutanal.

Molecular Properties

Compound Name2-but-3-en-2-yloxybutanal
PubChem CID123762687
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-but-3-en-2-yloxybutanal
SMILESC=CC(C)OC(C=O)CC
InChIInChI=1S/C8H14O2/c1-4-7(3)10-8(5-2)6-9/h4,6-8H,1,5H2,2-3H3
InChIKeyZRWQCBSBYQHTLK-UHFFFAOYSA-N
XLogP1.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.55
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

(2S)-2-methoxybut-3-enal;yttrium
CID 135037126
(2S)-2-methoxybut-3-enal
CID 11194297
2-Prop-2-enoxypropanal
CID 15074887
1-Oxobut-3-en-2-yl acetate
CID 19812396
2-Prop-2-enoxypentanal
CID 23243232
2-Methoxybut-3-enal
CID 57147295
2-(2-Methoxybut-3-enoxy)acetaldehyde
CID 58405991
1-But-3-en-2-yloxypropan-2-one
CID 88849350
2-Pent-1-en-3-yloxyacetaldehyde
CID 90250236
2-(1-Prop-2-enoxypropan-2-yloxy)acetaldehyde
CID 90379168
2-(4-Methoxybut-3-en-2-yloxy)acetaldehyde
CID 90787173
2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde
CID 90802130

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yloxybutanal?
The IUPAC name of 2-but-3-en-2-yloxybutanal (CID 123762687) is 2-but-3-en-2-yloxybutanal.
What is the SMILES notation for 2-but-3-en-2-yloxybutanal?
The canonical SMILES for 2-but-3-en-2-yloxybutanal is C=CC(C)OC(C=O)CC.
What is the InChIKey of 2-but-3-en-2-yloxybutanal?
The InChIKey is ZRWQCBSBYQHTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-7(3)10-8(5-2)6-9/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 2-but-3-en-2-yloxybutanal?
2-but-3-en-2-yloxybutanal has a molecular weight of 142.20 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxybutanal is sourced from PubChem (CID 123762687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).