(2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol

C12H24O3 — CID 11447259

IUPAC(2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol
SMILESCC[C@]1(O)O[C@H](C(C)C)[C@@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C12H24O3/c1-6-12(14)9(5)10(13)8(4)11(15-12)7(2)3/h7-11,13-14H,6H2,1-5H3/t8-,9+,10+,11+,12-/m0/s1
InChIKeyYGGAPPWLCQQTFY-KQSJRHEJSA-N
MW216.32 g/mol
LogP1.77
Rot. Bonds2

About (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol

(2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol (PubChem CID 11447259) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol
PubChem CID11447259
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol
SMILESCC[C@]1(O)O[C@H](C(C)C)[C@@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C12H24O3/c1-6-12(14)9(5)10(13)8(4)11(15-12)7(2)3/h7-11,13-14H,6H2,1-5H3/t8-,9+,10+,11+,12-/m0/s1
InChIKeyYGGAPPWLCQQTFY-KQSJRHEJSA-N
XLogP1.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol (CID 11447259) is (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol is CC[C@]1(O)O[C@H](C(C)C)[C@@H](C)[C@@H](O)[C@H]1C.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol?
The InChIKey is YGGAPPWLCQQTFY-KQSJRHEJSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-12(14)9(5)10(13)8(4)11(15-12)7(2)3/h7-11,13-14H,6H2,1-5H3/t8-,9+,10+,11+,12-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol?
(2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol has a molecular weight of 216.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol is sourced from PubChem (CID 11447259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).