4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol

C11H22O3 — CID 10420393

IUPAC4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol
SMILESCO[C@H]1OCCC[C@@H]1CCC(C)(C)O
InChIInChI=1S/C11H22O3/c1-11(2,12)7-6-9-5-4-8-14-10(9)13-3/h9-10,12H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeySOEIQKLRKKYRIM-ZJUUUORDSA-N
MW202.29 g/mol
LogP1.94
Rot. Bonds4

About 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol

4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol (PubChem CID 10420393) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol
PubChem CID10420393
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol
SMILESCO[C@H]1OCCC[C@@H]1CCC(C)(C)O
InChIInChI=1S/C11H22O3/c1-11(2,12)7-6-9-5-4-8-14-10(9)13-3/h9-10,12H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeySOEIQKLRKKYRIM-ZJUUUORDSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-(2-methoxyoxan-3-yl)oxane
CID 575050
[(2R,3R)-2-methoxyoxolan-3-yl]methanol
CID 130877552
3-benzyl-2-methoxyoxane
CID 13382528
(2S,3R)-3-ethyl-2-methoxyoxolane
CID 142222546
2-methoxyoxan-3-ol;propan-1-ol
CID 145057675
1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
CID 65161751
[2-(2-methoxypropan-2-yl)oxan-3-yl]methanol
CID 131115463
ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate
CID 45094642
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
(2-tert-butyloxan-3-yl)methanol
CID 79373679
1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 65161752
3-(11-bromoundecyl)-2-[3-(11-bromoundecyl)oxan-2-yl]oxyoxane
CID 57288938

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol (CID 10420393) is 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol is CO[C@H]1OCCC[C@@H]1CCC(C)(C)O.
What is the InChIKey of 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol?
The InChIKey is SOEIQKLRKKYRIM-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22O3/c1-11(2,12)7-6-9-5-4-8-14-10(9)13-3/h9-10,12H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol?
4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol has a molecular weight of 202.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 10420393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).