(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol

C8H18O2 — CID 154621422

IUPAC(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
SMILESC[C@H](O)CCOC(C)(C)C
InChIInChI=1S/C8H18O2/c1-7(9)5-6-10-8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyFXMSTCZCFZLJTC-ZETCQYMHSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds3

About (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol

(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol (PubChem CID 154621422) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
PubChem CID154621422
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
SMILESC[C@H](O)CCOC(C)(C)C
InChIInChI=1S/C8H18O2/c1-7(9)5-6-10-8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyFXMSTCZCFZLJTC-ZETCQYMHSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,2,2-pentafluoroethyl)pentan-3-yl]oxybutan-2-ol
CID 175980030
3-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590457
1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane
CID 175617770
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
CID 112689131
4-(1,5-dibutoxy-3-methylpentan-3-yl)oxybutan-2-ol
CID 175058110
2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride
CID 122240036
5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine
CID 112592208
tert-butyl 2-(3-hydroxybutoxy)acetate
CID 175472725
dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
CID 103972473
3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol
CID 103706149
pentadecane-2,5,8,11,14-pentol
CID 175190041

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The IUPAC name of (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol (CID 154621422) is (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol.
What is the SMILES notation for (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The canonical SMILES for (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol is C[C@H](O)CCOC(C)(C)C.
What is the InChIKey of (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The InChIKey is FXMSTCZCFZLJTC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(9)5-6-10-8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol?
(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol is sourced from PubChem (CID 154621422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).