2-(2-methylprop-2-enyl)oxolane

C8H14O — CID 102285856

IUPAC2-(2-methylprop-2-enyl)oxolane
SMILESC=C(C)CC1CCCO1
InChIInChI=1S/C8H14O/c1-7(2)6-8-4-3-5-9-8/h8H,1,3-6H2,2H3
InChIKeyMGVKGZOIVOHCBX-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds2

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

2-(2-methylprop-2-enyl)oxolane (PubChem CID 102285856) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)oxolane.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)oxolane
PubChem CID102285856
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-(2-methylprop-2-enyl)oxolane
SMILESC=C(C)CC1CCCO1
InChIInChI=1S/C8H14O/c1-7(2)6-8-4-3-5-9-8/h8H,1,3-6H2,2H3
InChIKeyMGVKGZOIVOHCBX-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

2H-Pyran, 2-butyltetrahydro-6-methyl-4-methylene-
CID 91149
2-Propyl-4-methylenetetrahydropyran
CID 12283592
2-Butyl-4-methylenetetrahydropyran
CID 13516143
2-(1-Methylvinyl)-5-methyl-tetrahydrofuran
CID 13574355
2-Ethyl-4-methylideneoxane
CID 12347115
(2S,5S)-2-pentyl-5-prop-2-enyloxolane
CID 10702595
2-Hexyl-4-methylideneoxane
CID 12338277
2-(2-Methylideneoctyl)oxetane
CID 86078831
(2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane
CID 102186275
2-(4-Methyl-3-pentenyl)tetrahydrofuran
CID 129793860
(2S,5R)-2-butyl-5-prop-2-enyloxolane
CID 134857944
4-Methoxy-2-methylundec-1-ene
CID 162400851

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)oxolane?
The IUPAC name of 2-(2-methylprop-2-enyl)oxolane (CID 102285856) is 2-(2-methylprop-2-enyl)oxolane.
What is the SMILES notation for 2-(2-methylprop-2-enyl)oxolane?
The canonical SMILES for 2-(2-methylprop-2-enyl)oxolane is C=C(C)CC1CCCO1.
What is the InChIKey of 2-(2-methylprop-2-enyl)oxolane?
The InChIKey is MGVKGZOIVOHCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)6-8-4-3-5-9-8/h8H,1,3-6H2,2H3.
What are the key properties of 2-(2-methylprop-2-enyl)oxolane?
2-(2-methylprop-2-enyl)oxolane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)oxolane is sourced from PubChem (CID 102285856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).