(3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol

C11H22O3 — CID 102209063

IUPAC(3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol
SMILESCC(C)C[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C11H22O3/c1-6(2)5-9-7(3)10(12)8(4)11(13)14-9/h6-13H,5H2,1-4H3/t7-,8+,9-,10+,11?/m0/s1
InChIKeyJUYAFKUPUUKDHF-NLSOGMSDSA-N
MW202.29 g/mol
LogP1.38
Rot. Bonds2

About (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol

(3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol (PubChem CID 102209063) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol.

Molecular Properties

Compound Name(3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol
PubChem CID102209063
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol
SMILESCC(C)C[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C11H22O3/c1-6(2)5-9-7(3)10(12)8(4)11(13)14-9/h6-13H,5H2,1-4H3/t7-,8+,9-,10+,11?/m0/s1
InChIKeyJUYAFKUPUUKDHF-NLSOGMSDSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol with MolForge

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Related Compounds

(3R,4S,6R,9R)-9-Ethyl-4-hydroxy-1,7-dioxaspiro(5.5)undecane-3-methanol
CID 158564
Talaromycin B
CID 158569
9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13778220
(3R,4R,6R,9R)-9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13778222
(3R,5S,6R)-3,5,6-trimethyloxan-2-ol
CID 10701940
4-Pentadecyl-tetrahydro-pyran-2,4-diol
CID 44370937
methyl 2,4,6-trideoxy-2,4-di-C-methylgluohexopyranoside
CID 147963
(3S,4R,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11299178
CID 139583645
CID 139583645
(3S,4S,6S,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 163090404
(3R,4S,6S,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 163090405
1,3-Dioxan-4-ol, 5-ethyl-2,6-dipropyl-
CID 86088

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol?
The IUPAC name of (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol (CID 102209063) is (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol.
What is the SMILES notation for (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol?
The canonical SMILES for (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol is CC(C)C[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol?
The InChIKey is JUYAFKUPUUKDHF-NLSOGMSDSA-N. The full InChI is InChI=1S/C11H22O3/c1-6(2)5-9-7(3)10(12)8(4)11(13)14-9/h6-13H,5H2,1-4H3/t7-,8+,9-,10+,11?/m0/s1.
What are the key properties of (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol?
(3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol has a molecular weight of 202.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6S)-3,5-dimethyl-6-(2-methylpropyl)oxane-2,4-diol is sourced from PubChem (CID 102209063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).