2-but-2-en-2-yloxolane

C8H14O — CID 69493710

IUPAC2-but-2-en-2-yloxolane
SMILESCC=C(C)C1CCCO1
InChIInChI=1S/C8H14O/c1-3-7(2)8-5-4-6-9-8/h3,8H,4-6H2,1-2H3
InChIKeyWNRXLMTZAPYTRE-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About 2-but-2-en-2-yloxolane

2-but-2-en-2-yloxolane (PubChem CID 69493710) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-but-2-en-2-yloxolane.

Molecular Properties

Compound Name2-but-2-en-2-yloxolane
PubChem CID69493710
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-but-2-en-2-yloxolane
SMILESCC=C(C)C1CCCO1
InChIInChI=1S/C8H14O/c1-3-7(2)8-5-4-6-9-8/h3,8H,4-6H2,1-2H3
InChIKeyWNRXLMTZAPYTRE-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
(2S)-N'-acetyloxolane-2-carbohydrazide
CID 131155943
N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine
CID 90830989
CID 168919655
CID 168919655
azanium (2R)-oxolane-2-carboxylate
CID 141340270
oxolane-2-carboxylic acid;silver
CID 160678639
cyclopropyl(oxolan-2-yl)methanone
CID 65331065
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
2-(2-methylprop-1-enyl)oxolane
CID 12735917
2-[(E)-1-(oxolan-2-yl)prop-1-en-2-yl]morpholine
CID 164661389
3-oxo-3-(oxolan-2-yl)propanal
CID 130577622
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384

Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yloxolane?
The IUPAC name of 2-but-2-en-2-yloxolane (CID 69493710) is 2-but-2-en-2-yloxolane.
What is the SMILES notation for 2-but-2-en-2-yloxolane?
The canonical SMILES for 2-but-2-en-2-yloxolane is CC=C(C)C1CCCO1.
What is the InChIKey of 2-but-2-en-2-yloxolane?
The InChIKey is WNRXLMTZAPYTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-7(2)8-5-4-6-9-8/h3,8H,4-6H2,1-2H3.
What are the key properties of 2-but-2-en-2-yloxolane?
2-but-2-en-2-yloxolane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yloxolane is sourced from PubChem (CID 69493710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).