2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol

C11H22O2 — CID 130978706

IUPAC2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol
SMILESCC(C)(C)[C@@H]1CCC[C@H](CCO)O1
InChIInChI=1S/C11H22O2/c1-11(2,3)10-6-4-5-9(13-10)7-8-12/h9-10,12H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyKXEIHNQFRVEOEQ-ZJUUUORDSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds2

About 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol

2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol (PubChem CID 130978706) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol
PubChem CID130978706
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol
SMILESCC(C)(C)[C@@H]1CCC[C@H](CCO)O1
InChIInChI=1S/C11H22O2/c1-11(2,3)10-6-4-5-9(13-10)7-8-12/h9-10,12H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyKXEIHNQFRVEOEQ-ZJUUUORDSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
CID 14506377
2-(8-ethyloxocan-2-yl)ethanol
CID 14445090
[6-(2-methylbutan-2-yl)oxan-2-yl]methanol
CID 130979881
(2R,6R)-2-tert-butyl-6-methoxyoxane
CID 12740301
2-(5,6-dimethyloxan-2-yl)ethanol
CID 59772049
2-tert-butyl-5-prop-2-enyloxolane
CID 15502848
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
[(2S,6R)-6-tert-butylmorpholin-2-yl]methanol
CID 169228697
ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol
CID 145311557
ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate
CID 15827852
3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol
CID 20529882
(2R,6R)-6-butyloxan-2-ol
CID 130757753

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol?
The IUPAC name of 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol (CID 130978706) is 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol?
The canonical SMILES for 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol is CC(C)(C)[C@@H]1CCC[C@H](CCO)O1.
What is the InChIKey of 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol?
The InChIKey is KXEIHNQFRVEOEQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22O2/c1-11(2,3)10-6-4-5-9(13-10)7-8-12/h9-10,12H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol?
2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol is sourced from PubChem (CID 130978706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).