(2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol

C8H16O3 — CID 14862374

IUPAC(2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol
SMILESCC[C@@]1(C)CO[C@@H](OC)[C@@H]1O
InChIInChI=1S/C8H16O3/c1-4-8(2)5-11-7(10-3)6(8)9/h6-7,9H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyBSJADZPXTPOGLI-RNJXMRFFSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds2

About (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol

(2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol (PubChem CID 14862374) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol
PubChem CID14862374
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol
SMILESCC[C@@]1(C)CO[C@@H](OC)[C@@H]1O
InChIInChI=1S/C8H16O3/c1-4-8(2)5-11-7(10-3)6(8)9/h6-7,9H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyBSJADZPXTPOGLI-RNJXMRFFSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol?
The IUPAC name of (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol (CID 14862374) is (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol is CC[C@@]1(C)CO[C@@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol?
The InChIKey is BSJADZPXTPOGLI-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-8(2)5-11-7(10-3)6(8)9/h6-7,9H,4-5H2,1-3H3/t6-,7+,8-/m0/s1.
What are the key properties of (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol?
(2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-ethyl-2-methoxy-4-methyloxolan-3-ol is sourced from PubChem (CID 14862374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).