(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol

C9H20O2 — CID 86735110

IUPAC(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESC[C@H](CCO)COC(C)(C)C
InChIInChI=1S/C9H20O2/c1-8(5-6-10)7-11-9(2,3)4/h8,10H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyVHLZXGZXQHWCQW-MRVPVSSYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds4

About (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol

(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol (PubChem CID 86735110) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
PubChem CID86735110
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESC[C@H](CCO)COC(C)(C)C
InChIInChI=1S/C9H20O2/c1-8(5-6-10)7-11-9(2,3)4/h8,10H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyVHLZXGZXQHWCQW-MRVPVSSYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol with MolForge

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Related Compounds

2-methyl-1,10-bis[(2-methylpropan-2-yl)oxy]decane
CID 19888732
(3S)-4-methoxy-3-methylbutan-1-ol
CID 87593216
4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol
CID 143201598
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
(2R)-2,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 174384089
1-bromo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 12923290
3-methyl-4-propan-2-ylperoxybutan-1-ol
CID 143964937
(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 55281826
7-[6-(8-hydroxy-2,6-dimethyloctan-2-yl)oxyhexoxy]-3,7-dimethyloctan-1-ol;7-(6-hydroxyhexoxy)-3,7-dimethyloctan-1-ol;7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 159888047
7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 155653781
(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 89109451
4-fluoro-3-methylbutan-1-ol
CID 22000521

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The IUPAC name of (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol (CID 86735110) is (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol.
What is the SMILES notation for (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The canonical SMILES for (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol is C[C@H](CCO)COC(C)(C)C.
What is the InChIKey of (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The InChIKey is VHLZXGZXQHWCQW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(5-6-10)7-11-9(2,3)4/h8,10H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol?
(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol is sourced from PubChem (CID 86735110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).