(2R,3S)-3-ethenyl-2-methyloxolane

C7H12O — CID 134993235

IUPAC(2R,3S)-3-ethenyl-2-methyloxolane
SMILESC=C[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C7H12O/c1-3-7-4-5-8-6(7)2/h3,6-7H,1,4-5H2,2H3/t6-,7-/m1/s1
InChIKeyAMLBXPPKXVXZFW-RNFRBKRXSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds1

About (2R,3S)-3-ethenyl-2-methyloxolane

(2R,3S)-3-ethenyl-2-methyloxolane (PubChem CID 134993235) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2R,3S)-3-ethenyl-2-methyloxolane.

Molecular Properties

Compound Name(2R,3S)-3-ethenyl-2-methyloxolane
PubChem CID134993235
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2R,3S)-3-ethenyl-2-methyloxolane
SMILESC=C[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C7H12O/c1-3-7-4-5-8-6(7)2/h3,6-7H,1,4-5H2,2H3/t6-,7-/m1/s1
InChIKeyAMLBXPPKXVXZFW-RNFRBKRXSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
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

(2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane
CID 174083422
cis-2,4-Dimethyl-trans-3-vinyloxetan
CID 12354008
3-Prop-2-enyloxolane
CID 22481091
2,3-Dimethyl-5-methylideneoxolane
CID 67949105
3-Ethenyl-2-methyloxolane
CID 69533067
3-Ethenyl-2,2-dimethyloxolane
CID 70126391
3-Prop-1-en-2-yloxolane
CID 70288914
3-[1-[(2-Methylpropan-2-yl)oxy]ethyl]hexa-1,5-diene
CID 89130744
3-Ethyl-2-methylideneoxolane
CID 89595555
3,5-Dimethyl-2-prop-2-enyloxolane
CID 91176144
(4R)-4-ethenyl-2,2-dimethyloxolane
CID 118264647
2,3-Dimethyl-4-methylideneoxolane
CID 118489516

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethenyl-2-methyloxolane?
The IUPAC name of (2R,3S)-3-ethenyl-2-methyloxolane (CID 134993235) is (2R,3S)-3-ethenyl-2-methyloxolane.
What is the SMILES notation for (2R,3S)-3-ethenyl-2-methyloxolane?
The canonical SMILES for (2R,3S)-3-ethenyl-2-methyloxolane is C=C[C@@H]1CCO[C@@H]1C.
What is the InChIKey of (2R,3S)-3-ethenyl-2-methyloxolane?
The InChIKey is AMLBXPPKXVXZFW-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12O/c1-3-7-4-5-8-6(7)2/h3,6-7H,1,4-5H2,2H3/t6-,7-/m1/s1.
What are the key properties of (2R,3S)-3-ethenyl-2-methyloxolane?
(2R,3S)-3-ethenyl-2-methyloxolane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethenyl-2-methyloxolane is sourced from PubChem (CID 134993235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).