6-butan-2-yl-3,4,5-trimethyloxan-2-ol

C12H24O2 — CID 159707084

IUPAC6-butan-2-yl-3,4,5-trimethyloxan-2-ol
SMILESCCC(C)C1OC(O)C(C)C(C)C1C
InChIInChI=1S/C12H24O2/c1-6-7(2)11-9(4)8(3)10(5)12(13)14-11/h7-13H,6H2,1-5H3
InChIKeyMBIVIIPIHYQROJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.66
Rot. Bonds2

About 6-butan-2-yl-3,4,5-trimethyloxan-2-ol

6-butan-2-yl-3,4,5-trimethyloxan-2-ol (PubChem CID 159707084) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 6-butan-2-yl-3,4,5-trimethyloxan-2-ol.

Molecular Properties

Compound Name6-butan-2-yl-3,4,5-trimethyloxan-2-ol
PubChem CID159707084
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name6-butan-2-yl-3,4,5-trimethyloxan-2-ol
SMILESCCC(C)C1OC(O)C(C)C(C)C1C
InChIInChI=1S/C12H24O2/c1-6-7(2)11-9(4)8(3)10(5)12(13)14-11/h7-13H,6H2,1-5H3
InChIKeyMBIVIIPIHYQROJ-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-4,5-dimethyloxolan-3-amine
CID 59025329
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
CID 11094654
(5S)-3,4,5,6-tetramethyloxan-2-ol
CID 142821764
(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589
(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 137470121
2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 77486705
(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
CID 130283506
actinium;(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063588
3-hexan-3-yloxiran-2-ol
CID 22168334
(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
CID 101050085
(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol
CID 138717575
(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane
CID 10558633

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3,4,5-trimethyloxan-2-ol?
The IUPAC name of 6-butan-2-yl-3,4,5-trimethyloxan-2-ol (CID 159707084) is 6-butan-2-yl-3,4,5-trimethyloxan-2-ol.
What is the SMILES notation for 6-butan-2-yl-3,4,5-trimethyloxan-2-ol?
The canonical SMILES for 6-butan-2-yl-3,4,5-trimethyloxan-2-ol is CCC(C)C1OC(O)C(C)C(C)C1C.
What is the InChIKey of 6-butan-2-yl-3,4,5-trimethyloxan-2-ol?
The InChIKey is MBIVIIPIHYQROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-7(2)11-9(4)8(3)10(5)12(13)14-11/h7-13H,6H2,1-5H3.
What are the key properties of 6-butan-2-yl-3,4,5-trimethyloxan-2-ol?
6-butan-2-yl-3,4,5-trimethyloxan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3,4,5-trimethyloxan-2-ol is sourced from PubChem (CID 159707084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).