(2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol

C17H34O2 — CID 177125372

IUPAC(2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol
SMILESCC(C)(C)C[C@H]1O[C@@H](C(C)(C)C)[C@@H](C(C)(C)C)C1O
InChIInChI=1S/C17H34O2/c1-15(2,3)10-11-13(18)12(16(4,5)6)14(19-11)17(7,8)9/h11-14,18H,10H2,1-9H3/t11-,12+,13?,14-/m1/s1
InChIKeyGBKQLNGTJNASKF-QNMSZWNNSA-N
MW270.46 g/mol
LogP4.26
Rot. Bonds1

About (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol

(2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol (PubChem CID 177125372) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol
PubChem CID177125372
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name(2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol
SMILESCC(C)(C)C[C@H]1O[C@@H](C(C)(C)C)[C@@H](C(C)(C)C)C1O
InChIInChI=1S/C17H34O2/c1-15(2,3)10-11-13(18)12(16(4,5)6)14(19-11)17(7,8)9/h11-14,18H,10H2,1-9H3/t11-,12+,13?,14-/m1/s1
InChIKeyGBKQLNGTJNASKF-QNMSZWNNSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,5R)-2-(2,2-dimethylpropyl)-5-methyloxolane-3,4-diol
CID 160706995
6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol
CID 59848567
4-azido-2-tert-butyl-5-(2,2-dimethylpropyl)oxolan-3-ol
CID 59848387
2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 20732647
(2S,3S,4R)-2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 157122722
(3S,4R,6R)-5-tert-butyl-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 159891300
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
CID 131967102
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
3,4-ditert-butyloxolane-2,5-diol
CID 149499592

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol?
The IUPAC name of (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol (CID 177125372) is (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol.
What is the SMILES notation for (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol?
The canonical SMILES for (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol is CC(C)(C)C[C@H]1O[C@@H](C(C)(C)C)[C@@H](C(C)(C)C)C1O.
What is the InChIKey of (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol?
The InChIKey is GBKQLNGTJNASKF-QNMSZWNNSA-N. The full InChI is InChI=1S/C17H34O2/c1-15(2,3)10-11-13(18)12(16(4,5)6)14(19-11)17(7,8)9/h11-14,18H,10H2,1-9H3/t11-,12+,13?,14-/m1/s1.
What are the key properties of (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol?
(2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol has a molecular weight of 270.46 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol is sourced from PubChem (CID 177125372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).