(2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane

C8H14O — CID 59875216

IUPAC(2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane
SMILESC/C=C/[C@@]1(C)O[C@@H]1CC
InChIInChI=1S/C8H14O/c1-4-6-8(3)7(5-2)9-8/h4,6-7H,5H2,1-3H3/b6-4+/t7-,8-/m1/s1
InChIKeyKCEGRGSSCIUMPO-CTDODENGSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds2

About (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane

(2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane (PubChem CID 59875216) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane.

Molecular Properties

Compound Name(2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane
PubChem CID59875216
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane
SMILESC/C=C/[C@@]1(C)O[C@@H]1CC
InChIInChI=1S/C8H14O/c1-4-6-8(3)7(5-2)9-8/h4,6-7H,5H2,1-3H3/b6-4+/t7-,8-/m1/s1
InChIKeyKCEGRGSSCIUMPO-CTDODENGSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

E-Ocimene oxide
CID 6429141
Epoxycimene
CID 11228905
2-(2-(3,3-Dimethyloxiranyl)vinyl)-2,3-dimethyloxirane
CID 6010275
2-Methyl-2-propyl-2,5-dihydrofuran
CID 12507025
Oxirane, 2-[2-(3,3-dimethyloxiranyl)ethenyl]-2,3-dimethyl-
CID 107168
(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 10606844
2,2-Dimethyl-3-(2-methylprop-1-enyl)oxirane
CID 12553881
Allylbenzene oxide
CID 21963701
1,2-Epoxy-1-phenyl-ethane
CID 22121529
(E)-2-(4,8-Dimethylnona-3,7-dien-1-yl)-2-vinyloxirane
CID 60147483
1,3,5-Trimethyl-7-oxabicyclo(4.1.0)hepta-2,4-diene
CID 71361380
2,6-Dimethylphenylene oxide
CID 87133361

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane?
The IUPAC name of (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane (CID 59875216) is (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane.
What is the SMILES notation for (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane?
The canonical SMILES for (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane is C/C=C/[C@@]1(C)O[C@@H]1CC.
What is the InChIKey of (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane?
The InChIKey is KCEGRGSSCIUMPO-CTDODENGSA-N. The full InChI is InChI=1S/C8H14O/c1-4-6-8(3)7(5-2)9-8/h4,6-7H,5H2,1-3H3/b6-4+/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane?
(2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane is sourced from PubChem (CID 59875216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).