3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol

C12H26O4 — CID 558944

IUPAC3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol
SMILESCOCC(O)C(COC)OC(C)C(C)(C)C
InChIInChI=1S/C12H26O4/c1-9(12(2,3)4)16-11(8-15-6)10(13)7-14-5/h9-11,13H,7-8H2,1-6H3
InChIKeyCYVPDKMFEIDWTM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.46
Rot. Bonds7

About 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol

3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol (PubChem CID 558944) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol
PubChem CID558944
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol
SMILESCOCC(O)C(COC)OC(C)C(C)(C)C
InChIInChI=1S/C12H26O4/c1-9(12(2,3)4)16-11(8-15-6)10(13)7-14-5/h9-11,13H,7-8H2,1-6H3
InChIKeyCYVPDKMFEIDWTM-UHFFFAOYSA-N
XLogP1.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol?
The IUPAC name of 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol (CID 558944) is 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol is COCC(O)C(COC)OC(C)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol?
The InChIKey is CYVPDKMFEIDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-9(12(2,3)4)16-11(8-15-6)10(13)7-14-5/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol?
3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yloxy)-1,4-dimethoxybutan-2-ol is sourced from PubChem (CID 558944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).