2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane

C9H16O2 — CID 10678486

IUPAC2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane
SMILESCO/C=C(\C)CC1CCCO1
InChIInChI=1S/C9H16O2/c1-8(7-10-2)6-9-4-3-5-11-9/h7,9H,3-6H2,1-2H3/b8-7+
InChIKeyDSKUDGBJQLOUCF-BQYQJAHWSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds3

About 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane

2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane (PubChem CID 10678486) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane.

Molecular Properties

Compound Name2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane
PubChem CID10678486
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane
SMILESCO/C=C(\C)CC1CCCO1
InChIInChI=1S/C9H16O2/c1-8(7-10-2)6-9-4-3-5-11-9/h7,9H,3-6H2,1-2H3/b8-7+
InChIKeyDSKUDGBJQLOUCF-BQYQJAHWSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 13291791
4-Butyl-2,3-dihydrofuran
CID 19883176
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CID 20504360
4-(Methoxymethylidene)-2,6-dimethyloxane
CID 58424345
2-Butyl-5-methylideneoxolane
CID 59219377
(2R,6S)-4-(methoxymethylene)-2,6-dimethyltetrahydro-2H-pyran
CID 66936926
4-Octyl-2,3-dihydrofuran;hydrate
CID 67745231
2,4-Diethyl-2,3-dihydrofuran
CID 69220102
3-Methoxymethylene-8-oxa-bicyclo[3.2.1]octane
CID 86259518
2-Methylidene-5-octyloxolane
CID 89616979
2-Methylidene-5-pentyloxolane
CID 89617022
2-(2-Methylprop-2-enyl)oxolane
CID 102285856

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane?
The IUPAC name of 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane (CID 10678486) is 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane.
What is the SMILES notation for 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane?
The canonical SMILES for 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane is CO/C=C(\C)CC1CCCO1.
What is the InChIKey of 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane?
The InChIKey is DSKUDGBJQLOUCF-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(7-10-2)6-9-4-3-5-11-9/h7,9H,3-6H2,1-2H3/b8-7+.
What are the key properties of 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane?
2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxolane is sourced from PubChem (CID 10678486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).