3-ethylideneoxolane

C6H10O — CID 123791702

IUPAC3-ethylideneoxolane
SMILESCC=C1CCOC1
InChIInChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h2H,3-5H2,1H3
InChIKeyVLNRCGMLSHALLF-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds

About 3-ethylideneoxolane

3-ethylideneoxolane (PubChem CID 123791702) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-ethylideneoxolane.

Molecular Properties

Compound Name3-ethylideneoxolane
PubChem CID123791702
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-ethylideneoxolane
SMILESCC=C1CCOC1
InChIInChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h2H,3-5H2,1H3
InChIKeyVLNRCGMLSHALLF-UHFFFAOYSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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'}

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Related Compounds

3,6-Dihydro-4-methyl-2H-pyran
CID 85360
Furan, 2,5-dihydro-2,2,4-trimethyl-
CID 566136
3-Ethyl-2,5-dihydrofuran
CID 15825450
2,3-Dimethyl-2,5-dihydrofuran
CID 11093674
4,6-Dimethyl-3,6-dihydro-2H-pyran
CID 12338288
5,6-Dihydro-2H-pyran-3-carbon
CID 13166771
2,4-Diethyl-2,5-dihydrofuran
CID 12488608
4-Methallyl-2,5-dihydrofuran
CID 129800299
3-(2-Methylprop-1-enyl)-2,5-dihydrofuran
CID 134860390
(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
CID 134931636
2-fluoro-4-methyl-3,6-dihydro-2H-pyran
CID 143164256
Furan, 2,5-dihydro-2,3,5-trimethyl
CID 524217

Frequently Asked Questions

What is the IUPAC name of 3-ethylideneoxolane?
The IUPAC name of 3-ethylideneoxolane (CID 123791702) is 3-ethylideneoxolane.
What is the SMILES notation for 3-ethylideneoxolane?
The canonical SMILES for 3-ethylideneoxolane is CC=C1CCOC1.
What is the InChIKey of 3-ethylideneoxolane?
The InChIKey is VLNRCGMLSHALLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h2H,3-5H2,1H3.
What are the key properties of 3-ethylideneoxolane?
3-ethylideneoxolane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylideneoxolane is sourced from PubChem (CID 123791702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).