(2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane

C8H16O2 — CID 163579473

IUPAC(2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane
SMILESCCO[C@@H]1C[C@H](C)O[C@@H]1C
InChIInChI=1S/C8H16O2/c1-4-9-8-5-6(2)10-7(8)3/h6-8H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyAGTVXMSPABMELH-XLPZGREQSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds2

About (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane

(2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane (PubChem CID 163579473) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane.

Molecular Properties

Compound Name(2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane
PubChem CID163579473
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane
SMILESCCO[C@@H]1C[C@H](C)O[C@@H]1C
InChIInChI=1S/C8H16O2/c1-4-9-8-5-6(2)10-7(8)3/h6-8H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyAGTVXMSPABMELH-XLPZGREQSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3,4-Dimethoxy-2-(methoxymethyl)oxolane
CID 526629
Tetrahydrofurfuryl isopropyl ether
CID 13763952
1,2,3-Trimethoxyhexane
CID 542413
(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane
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2,5-Bis(ethoxymethyl)oxolane
CID 67974178
2,3-Dimethoxyhexane
CID 91145576
(2R,5S)-2,5-bis(methoxymethyl)oxolane
CID 118171219
Tetrahydrofurfuryloxytriethylstannane
CID 16693195
1-Ethyl-2,5-dimethyltetrahydrofuran-1-ium
CID 66553021

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane?
The IUPAC name of (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane (CID 163579473) is (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane.
What is the SMILES notation for (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane?
The canonical SMILES for (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane is CCO[C@@H]1C[C@H](C)O[C@@H]1C.
What is the InChIKey of (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane?
The InChIKey is AGTVXMSPABMELH-XLPZGREQSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-9-8-5-6(2)10-7(8)3/h6-8H,4-5H2,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane?
(2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-3-ethoxy-2,5-dimethyloxolane is sourced from PubChem (CID 163579473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).