2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol

C16H32O4 — CID 153348400

IUPAC2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)C(C)(C)C1C(CO)OC(C(C)(C)C)C(O)C1O
InChIInChI=1S/C16H32O4/c1-9(2)16(6,7)11-10(8-17)20-14(15(3,4)5)13(19)12(11)18/h9-14,17-19H,8H2,1-7H3
InChIKeyBQIMDVBKNGIWHC-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.81
Rot. Bonds3

About 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol

2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 153348400) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID153348400
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)C(C)(C)C1C(CO)OC(C(C)(C)C)C(O)C1O
InChIInChI=1S/C16H32O4/c1-9(2)16(6,7)11-10(8-17)20-14(15(3,4)5)13(19)12(11)18/h9-14,17-19H,8H2,1-7H3
InChIKeyBQIMDVBKNGIWHC-UHFFFAOYSA-N
XLogP1.81
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
CID 131967102
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol
CID 129082603
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
(3S,4R,6R)-5-tert-butyl-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 159891300
2-tert-butyl-6-ethyloxane-3,4,5-triol;6-(2-methylpropyl)oxane-2,3,4,5-tetrol
CID 159661133
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(2S)-2-amino-3-methyl-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid;hydrochloride
CID 53376706
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170688493
2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 20758643
(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
CID 59078200

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol (CID 153348400) is 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol is CC(C)C(C)(C)C1C(CO)OC(C(C)(C)C)C(O)C1O.
What is the InChIKey of 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is BQIMDVBKNGIWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-9(2)16(6,7)11-10(8-17)20-14(15(3,4)5)13(19)12(11)18/h9-14,17-19H,8H2,1-7H3.
What are the key properties of 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol?
2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 288.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 153348400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).