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

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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).