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

C8H14O — CID 134995886

IUPAC(2R,3S)-3-ethenyl-2-methyloxane
SMILESC=C[C@@H]1CCCO[C@@H]1C
InChIInChI=1S/C8H14O/c1-3-8-5-4-6-9-7(8)2/h3,7-8H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyBESXIPHFNWHKNZ-HTQZYQBOSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

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

(2R,3S)-3-ethenyl-2-methyloxane (PubChem CID 134995886) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3S)-3-ethenyl-2-methyloxane.

Molecular Properties

Compound Name(2R,3S)-3-ethenyl-2-methyloxane
PubChem CID134995886
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3S)-3-ethenyl-2-methyloxane
SMILESC=C[C@@H]1CCCO[C@@H]1C
InChIInChI=1S/C8H14O/c1-3-8-5-4-6-9-7(8)2/h3,7-8H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyBESXIPHFNWHKNZ-HTQZYQBOSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
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

(2S,3R)-3-ethenyl-2-methyloxane
CID 139439800
(2S,3R)-2,3-dimethyloxane
CID 121479351
1,2-bis(ethenyl)cyclohexane;ethane
CID 144683720
(2R,3S)-N,2-dimethyloxan-3-amine
CID 129044536
(2R,3S,6S)-3,6-bis(ethenyl)-2-methyloxane
CID 10931635
(2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane
CID 92840159
(3R)-2,3,4-trimethyloxepane
CID 144648748
(2S,3R)-2-methyloxolane-3-carbaldehyde
CID 92908099
(2R,3S)-2-methyloxolane-3-carbaldehyde
CID 12560931
2-methyl-3-(2-methylpropyl)oxane
CID 67691431
N-[(2R,3S)-2-methyloxan-3-yl]formamide
CID 129044544
(5R,6R)-5-ethenyl-6-methyloxan-2-one
CID 11320973

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethenyl-2-methyloxane?
The IUPAC name of (2R,3S)-3-ethenyl-2-methyloxane (CID 134995886) is (2R,3S)-3-ethenyl-2-methyloxane.
What is the SMILES notation for (2R,3S)-3-ethenyl-2-methyloxane?
The canonical SMILES for (2R,3S)-3-ethenyl-2-methyloxane is C=C[C@@H]1CCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-3-ethenyl-2-methyloxane?
The InChIKey is BESXIPHFNWHKNZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8-5-4-6-9-7(8)2/h3,7-8H,1,4-6H2,2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3S)-3-ethenyl-2-methyloxane?
(2R,3S)-3-ethenyl-2-methyloxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 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-methyloxane is sourced from PubChem (CID 134995886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).