(2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol

C12H24O3 — CID 126764279

IUPAC(2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol
SMILESCCC1O[C@@H](O)C(C)[C@@H](OC(C)C)[C@@H]1C
InChIInChI=1S/C12H24O3/c1-6-10-8(4)11(14-7(2)3)9(5)12(13)15-10/h7-13H,6H2,1-5H3/t8-,9?,10?,11+,12-/m1/s1
InChIKeyPSRQHEAVZARODL-QPCJGGDKSA-N
MW216.32 g/mol
LogP2.18
Rot. Bonds3

About (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol

(2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol (PubChem CID 126764279) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol.

Molecular Properties

Compound Name(2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol
PubChem CID126764279
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol
SMILESCCC1O[C@@H](O)C(C)[C@@H](OC(C)C)[C@@H]1C
InChIInChI=1S/C12H24O3/c1-6-10-8(4)11(14-7(2)3)9(5)12(13)15-10/h7-13H,6H2,1-5H3/t8-,9?,10?,11+,12-/m1/s1
InChIKeyPSRQHEAVZARODL-QPCJGGDKSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589
actinium;(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063588
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315
(2R,4R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 58794899
5-ethyl-4-methyloxolane-2,3-diol
CID 21338247
(4S,5S)-6-ethyl-4-methyloxane-2,3,5-triol
CID 90429062
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate
CID 118894761
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-propan-2-yloxy-6-sulfanyloxane-3,4-diol
CID 87069861
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
CID 122599287
(2R,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 118580562

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol?
The IUPAC name of (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol (CID 126764279) is (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol.
What is the SMILES notation for (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol?
The canonical SMILES for (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol is CCC1O[C@@H](O)C(C)[C@@H](OC(C)C)[C@@H]1C.
What is the InChIKey of (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol?
The InChIKey is PSRQHEAVZARODL-QPCJGGDKSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-10-8(4)11(14-7(2)3)9(5)12(13)15-10/h7-13H,6H2,1-5H3/t8-,9?,10?,11+,12-/m1/s1.
What are the key properties of (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol?
(2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol is sourced from PubChem (CID 126764279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).