(2R,6R)-2-tert-butyl-6-methoxyoxane

C10H20O2 — CID 12740301

IUPAC(2R,6R)-2-tert-butyl-6-methoxyoxane
SMILESCO[C@H]1CCC[C@H](C(C)(C)C)O1
InChIInChI=1S/C10H20O2/c1-10(2,3)8-6-5-7-9(11-4)12-8/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyCTDNYCQZYRAWSF-RKDXNWHRSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds1

About (2R,6R)-2-tert-butyl-6-methoxyoxane

(2R,6R)-2-tert-butyl-6-methoxyoxane (PubChem CID 12740301) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,6R)-2-tert-butyl-6-methoxyoxane.

Molecular Properties

Compound Name(2R,6R)-2-tert-butyl-6-methoxyoxane
PubChem CID12740301
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,6R)-2-tert-butyl-6-methoxyoxane
SMILESCO[C@H]1CCC[C@H](C(C)(C)C)O1
InChIInChI=1S/C10H20O2/c1-10(2,3)8-6-5-7-9(11-4)12-8/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyCTDNYCQZYRAWSF-RKDXNWHRSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (4S)-4-[(2R,6R)-6-tert-butyloxan-2-yl]oxypentanoate
CID 11054818
methanol;2-methoxy-6-methyloxane
CID 143625427
ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate
CID 15827852
(2R)-2-ethyl-6-methoxyoxane
CID 15250108
2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol
CID 130978706
(2S,5R)-2-methoxy-5-[(2R,5S)-5-methoxyoxolan-2-yl]oxolane
CID 71424305
2-methoxyoxepane
CID 24974084
(1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane
CID 23264865
(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol
CID 13108348
(5R)-2-methoxy-5-methyloxolane
CID 70228275
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane
CID 134833646
(2S)-2-tert-butyloxane
CID 118633229

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-tert-butyl-6-methoxyoxane?
The IUPAC name of (2R,6R)-2-tert-butyl-6-methoxyoxane (CID 12740301) is (2R,6R)-2-tert-butyl-6-methoxyoxane.
What is the SMILES notation for (2R,6R)-2-tert-butyl-6-methoxyoxane?
The canonical SMILES for (2R,6R)-2-tert-butyl-6-methoxyoxane is CO[C@H]1CCC[C@H](C(C)(C)C)O1.
What is the InChIKey of (2R,6R)-2-tert-butyl-6-methoxyoxane?
The InChIKey is CTDNYCQZYRAWSF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)8-6-5-7-9(11-4)12-8/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-2-tert-butyl-6-methoxyoxane?
(2R,6R)-2-tert-butyl-6-methoxyoxane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-tert-butyl-6-methoxyoxane is sourced from PubChem (CID 12740301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).