2-but-1-enyloxirane

C6H10O — CID 57271697

IUPAC2-but-1-enyloxirane
SMILESCCC=CC1CO1
InChIInChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h3-4,6H,2,5H2,1H3
InChIKeyIZTBBIXVWBWSMW-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds2

About 2-but-1-enyloxirane

2-but-1-enyloxirane (PubChem CID 57271697) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-but-1-enyloxirane.

Molecular Properties

Compound Name2-but-1-enyloxirane
PubChem CID57271697
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-but-1-enyloxirane
SMILESCCC=CC1CO1
InChIInChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h3-4,6H,2,5H2,1H3
InChIKeyIZTBBIXVWBWSMW-UHFFFAOYSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methoxypentene-4
CID 5367912
2,5-Dihydro-2,5-dimethylfuran
CID 557796
2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
CID 73354150
Ponticaepoxide
CID 157010040
(2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane
CID 163000767
(2R)-2-[(1E,9E)-undeca-1,9-dien-3,5,7-triynyl]oxirane
CID 163031254
6-Methyl-3,6-dihydro-2H-pyran
CID 521593
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
1,2-Epoxy-3-tridecene-5,7,9,11-tetrayne
CID 129684617
2-[(E)-oct-1-en-3-ynyl]oxirane
CID 5324175
Butene, methoxymethyl-
CID 551185
(E)-3-(oxiran-2-yl)prop-2-en-1-ol
CID 10996970

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyloxirane?
The IUPAC name of 2-but-1-enyloxirane (CID 57271697) is 2-but-1-enyloxirane.
What is the SMILES notation for 2-but-1-enyloxirane?
The canonical SMILES for 2-but-1-enyloxirane is CCC=CC1CO1.
What is the InChIKey of 2-but-1-enyloxirane?
The InChIKey is IZTBBIXVWBWSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-but-1-enyloxirane?
2-but-1-enyloxirane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyloxirane is sourced from PubChem (CID 57271697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).