(2S,4R)-2-ethoxy-4-methyloxolane

C7H14O2 — CID 102317683

IUPAC(2S,4R)-2-ethoxy-4-methyloxolane
SMILESCCO[C@@H]1C[C@@H](C)CO1
InChIInChI=1S/C7H14O2/c1-3-8-7-4-6(2)5-9-7/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyHRCSYWMVHCNFAK-RQJHMYQMSA-N
MW130.19 g/mol
LogP1.41
Rot. Bonds2

About (2S,4R)-2-ethoxy-4-methyloxolane

(2S,4R)-2-ethoxy-4-methyloxolane (PubChem CID 102317683) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S,4R)-2-ethoxy-4-methyloxolane.

Molecular Properties

Compound Name(2S,4R)-2-ethoxy-4-methyloxolane
PubChem CID102317683
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2S,4R)-2-ethoxy-4-methyloxolane
SMILESCCO[C@@H]1C[C@@H](C)CO1
InChIInChI=1S/C7H14O2/c1-3-8-7-4-6(2)5-9-7/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyHRCSYWMVHCNFAK-RQJHMYQMSA-N
XLogP1.41
TPSA18.46 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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-2-ethoxy-4-methyloxolane
CID 10558657
(4R)-2-butoxy-4-methyloxolane
CID 11789482
3-[(4R)-4-methyloxolan-2-yl]oxypropanoic acid
CID 155795469
(2R,4S)-4-cyclohexyl-2-ethoxyoxolane
CID 10821828
(2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol
CID 129321316
(4R)-2-[(3,5-dichlorophenyl)methoxy]-4-methyloxolane
CID 155795666
3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one
CID 129024772
(3S,5S)-3-ethoxy-5-methyldioxolane
CID 119097936
(4R)-2-[(2-methoxyphenyl)methoxy]-4-methyloxolane
CID 155795428
2-fluoro-4-methyloxolane
CID 57195800
2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane
CID 155081831
(5-ethoxyoxolan-3-yl)methyl benzoate
CID 11149370

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethoxy-4-methyloxolane?
The IUPAC name of (2S,4R)-2-ethoxy-4-methyloxolane (CID 102317683) is (2S,4R)-2-ethoxy-4-methyloxolane.
What is the SMILES notation for (2S,4R)-2-ethoxy-4-methyloxolane?
The canonical SMILES for (2S,4R)-2-ethoxy-4-methyloxolane is CCO[C@@H]1C[C@@H](C)CO1.
What is the InChIKey of (2S,4R)-2-ethoxy-4-methyloxolane?
The InChIKey is HRCSYWMVHCNFAK-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-8-7-4-6(2)5-9-7/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-2-ethoxy-4-methyloxolane?
(2S,4R)-2-ethoxy-4-methyloxolane has a molecular weight of 130.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethoxy-4-methyloxolane is sourced from PubChem (CID 102317683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).