(3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane

C7H14O2 — CID 15787000

IUPAC(3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane
SMILESCO[C@@H](C)[C@@H]1OC1(C)C
InChIInChI=1S/C7H14O2/c1-5(8-4)6-7(2,3)9-6/h5-6H,1-4H3/t5-,6-/m0/s1
InChIKeyUQPWWNHMIHHXSE-WDSKDSINSA-N
MW130.19 g/mol
LogP1.20
Rot. Bonds2

About (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane

(3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane (PubChem CID 15787000) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane
PubChem CID15787000
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane
SMILESCO[C@@H](C)[C@@H]1OC1(C)C
InChIInChI=1S/C7H14O2/c1-5(8-4)6-7(2,3)9-6/h5-6H,1-4H3/t5-,6-/m0/s1
InChIKeyUQPWWNHMIHHXSE-WDSKDSINSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((1,1-Dimethylethoxy)methyl)oxirane
CID 24314
3-Ethyl-2,2-dimethyloxirane
CID 14499
Oxirane, 2-[(1,3-dimethylbutoxy)methyl]-
CID 24691573
tert-Butyl glycidyl ether, (-)-
CID 12618335
(+)-tert-Butyl glycidyl ether
CID 11768605
(1S)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol
CID 11789183
(1S)-1-(3,3-dimethyloxiran-2-yl)ethanol
CID 57751993
(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol
CID 10582772
2,3-Anhydro-1,5-dideoxy-4-C-methylpentitol
CID 12465674
2,2-Dimethyl-3-(3-methyloxiran-2-yl)oxirane
CID 18345584
Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
2,2-Dimethyl-3-ethyloxirane
CID 12568504

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane?
The IUPAC name of (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane (CID 15787000) is (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane.
What is the SMILES notation for (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane?
The canonical SMILES for (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane is CO[C@@H](C)[C@@H]1OC1(C)C.
What is the InChIKey of (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane?
The InChIKey is UQPWWNHMIHHXSE-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14O2/c1-5(8-4)6-7(2,3)9-6/h5-6H,1-4H3/t5-,6-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane?
(3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane has a molecular weight of 130.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane is sourced from PubChem (CID 15787000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).