(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol

C10H20O3 — CID 164829805

IUPAC(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
SMILESCC1O[C@@H](C(C)(C)C)[C@@H](O)C[C@H]1O
InChIInChI=1S/C10H20O3/c1-6-7(11)5-8(12)9(13-6)10(2,3)4/h6-9,11-12H,5H2,1-4H3/t6?,7-,8+,9-/m1/s1
InChIKeyKPJKOXRFCJYGGK-XWKBEBHTSA-N
MW188.27 g/mol
LogP0.93
Rot. Bonds

About (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol

(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol (PubChem CID 164829805) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
PubChem CID164829805
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
SMILESCC1O[C@@H](C(C)(C)C)[C@@H](O)C[C@H]1O
InChIInChI=1S/C10H20O3/c1-6-7(11)5-8(12)9(13-6)10(2,3)4/h6-9,11-12H,5H2,1-4H3/t6?,7-,8+,9-/m1/s1
InChIKeyKPJKOXRFCJYGGK-XWKBEBHTSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S,6R)-6-tert-butyl-2,5-dimethyloxan-3-ol
CID 167642620
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
2-tert-butyl-6-methyloxane-3,4-diol
CID 20758663
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
(3R,6S)-2-methyl-6-methyliodanuidyloxane-3,5-diol
CID 163453977
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267
6-tert-butyloxane-2,4,5-triol
CID 91219184
(2S,3S,5R,6S)-3,5-dihydroxy-6-methyloxane-2-carboxylic acid
CID 167291493
1,2-ditert-butylcyclopropane;2,3-ditert-butyloxirane
CID 157284508
2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
CID 20758656
(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol
CID 142725701
3-tert-butylcyclobutane-1,2-diol
CID 12791413

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol?
The IUPAC name of (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol (CID 164829805) is (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol.
What is the SMILES notation for (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol?
The canonical SMILES for (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol is CC1O[C@@H](C(C)(C)C)[C@@H](O)C[C@H]1O.
What is the InChIKey of (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol?
The InChIKey is KPJKOXRFCJYGGK-XWKBEBHTSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-7(11)5-8(12)9(13-6)10(2,3)4/h6-9,11-12H,5H2,1-4H3/t6?,7-,8+,9-/m1/s1.
What are the key properties of (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol?
(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol has a molecular weight of 188.27 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol is sourced from PubChem (CID 164829805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).