3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol

C12H26O3 — CID 87369520

IUPAC3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol
SMILESCC(CO)C(C)(C)OC(C)(C)C(C)CO
InChIInChI=1S/C12H26O3/c1-9(7-13)11(3,4)15-12(5,6)10(2)8-14/h9-10,13-14H,7-8H2,1-6H3
InChIKeyCMWVOMXMDUNMRC-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.82
Rot. Bonds6

About 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol

3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol (PubChem CID 87369520) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol
PubChem CID87369520
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol
SMILESCC(CO)C(C)(C)OC(C)(C)C(C)CO
InChIInChI=1S/C12H26O3/c1-9(7-13)11(3,4)15-12(5,6)10(2)8-14/h9-10,13-14H,7-8H2,1-6H3
InChIKeyCMWVOMXMDUNMRC-UHFFFAOYSA-N
XLogP1.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-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

2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
(2S,3R)-2,3-dimethylpentane-1,3-diol
CID 15314348
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682
4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol
CID 87110602
2,3,5-trimethylhexane-1,3,4,5-tetrol
CID 140988285
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
1-hydroxypropan-2-olate
CID 21225559

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol?
The IUPAC name of 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol (CID 87369520) is 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol?
The canonical SMILES for 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol is CC(CO)C(C)(C)OC(C)(C)C(C)CO.
What is the InChIKey of 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol?
The InChIKey is CMWVOMXMDUNMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-9(7-13)11(3,4)15-12(5,6)10(2)8-14/h9-10,13-14H,7-8H2,1-6H3.
What are the key properties of 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol?
3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 87369520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).