3-methyl-4-methylideneoxolane

C6H10O — CID 535110

IUPAC3-methyl-4-methylideneoxolane
SMILESC=C1COCC1C
InChIInChI=1S/C6H10O/c1-5-3-7-4-6(5)2/h6H,1,3-4H2,2H3
InChIKeyJJDXDJKPBZIXPI-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.21
Rot. Bonds

About 3-methyl-4-methylideneoxolane

3-methyl-4-methylideneoxolane (PubChem CID 535110) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methyl-4-methylideneoxolane.

Molecular Properties

Compound Name3-methyl-4-methylideneoxolane
PubChem CID535110
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-methyl-4-methylideneoxolane
SMILESC=C1COCC1C
InChIInChI=1S/C6H10O/c1-5-3-7-4-6(5)2/h6H,1,3-4H2,2H3
InChIKeyJJDXDJKPBZIXPI-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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-Methylideneoxolane
CID 11815817
3-Ethenyl-4-methylideneoxolane
CID 13975083
3,4-Dimethylenetetrahydrofuran
CID 12607503
3-Vinylidene tetrahydrofuran
CID 129748214
3-Silylmethylene-4-methyltetrahydrofuran
CID 129777019
2-(Methoxymethyl)-3-methylbut-1-ene
CID 13707490
3-Methyl-2-[(3-methyl-2-methylidenebutoxy)methyl]but-1-ene
CID 20025446
2,4-Dimethyl-3-methylideneoxolane
CID 68035301
(3S)-3-methyl-4-methylideneoxolane
CID 70288183
4-Methyl-2,3-dimethylideneoxolane
CID 90885988
2-Iodo-3-methyl-4-methylideneoxolane
CID 118491859
3-Methylidene-4-(3-methylpent-1-ynyl)oxolane
CID 123915912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylideneoxolane?
The IUPAC name of 3-methyl-4-methylideneoxolane (CID 535110) is 3-methyl-4-methylideneoxolane.
What is the SMILES notation for 3-methyl-4-methylideneoxolane?
The canonical SMILES for 3-methyl-4-methylideneoxolane is C=C1COCC1C.
What is the InChIKey of 3-methyl-4-methylideneoxolane?
The InChIKey is JJDXDJKPBZIXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-5-3-7-4-6(5)2/h6H,1,3-4H2,2H3.
What are the key properties of 3-methyl-4-methylideneoxolane?
3-methyl-4-methylideneoxolane has a molecular weight of 98.14 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylideneoxolane is sourced from PubChem (CID 535110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).