(3S)-3-methyl-4-methylideneoxolane

C6H10O — CID 70288183

IUPAC(3S)-3-methyl-4-methylideneoxolane
SMILESC=C1COC[C@H]1C
InChIInChI=1S/C6H10O/c1-5-3-7-4-6(5)2/h6H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyJJDXDJKPBZIXPI-ZCFIWIBFSA-N
MW98.14 g/mol
LogP1.21
Rot. Bonds

About (3S)-3-methyl-4-methylideneoxolane

(3S)-3-methyl-4-methylideneoxolane (PubChem CID 70288183) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (3S)-3-methyl-4-methylideneoxolane.

Molecular Properties

Compound Name(3S)-3-methyl-4-methylideneoxolane
PubChem CID70288183
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(3S)-3-methyl-4-methylideneoxolane
SMILESC=C1COC[C@H]1C
InChIInChI=1S/C6H10O/c1-5-3-7-4-6(5)2/h6H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyJJDXDJKPBZIXPI-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-methylideneoxolane?
The IUPAC name of (3S)-3-methyl-4-methylideneoxolane (CID 70288183) is (3S)-3-methyl-4-methylideneoxolane.
What is the SMILES notation for (3S)-3-methyl-4-methylideneoxolane?
The canonical SMILES for (3S)-3-methyl-4-methylideneoxolane is C=C1COC[C@H]1C.
What is the InChIKey of (3S)-3-methyl-4-methylideneoxolane?
The InChIKey is JJDXDJKPBZIXPI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O/c1-5-3-7-4-6(5)2/h6H,1,3-4H2,2H3/t6-/m1/s1.
What are the key properties of (3S)-3-methyl-4-methylideneoxolane?
(3S)-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 (3S)-3-methyl-4-methylideneoxolane is sourced from PubChem (CID 70288183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).