1,3-dimethoxy-2,3-dimethylbutane

C8H18O2 — CID 552148

IUPAC1,3-dimethoxy-2,3-dimethylbutane
SMILESCOCC(C)C(C)(C)OC
InChIInChI=1S/C8H18O2/c1-7(6-9-4)8(2,3)10-5/h7H,6H2,1-5H3
InChIKeyUYKQHTBXGPOCDI-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.69
Rot. Bonds4

About 1,3-dimethoxy-2,3-dimethylbutane

1,3-dimethoxy-2,3-dimethylbutane (PubChem CID 552148) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,3-dimethoxy-2,3-dimethylbutane.

Molecular Properties

Compound Name1,3-dimethoxy-2,3-dimethylbutane
PubChem CID552148
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1,3-dimethoxy-2,3-dimethylbutane
SMILESCOCC(C)C(C)(C)OC
InChIInChI=1S/C8H18O2/c1-7(6-9-4)8(2,3)10-5/h7H,6H2,1-5H3
InChIKeyUYKQHTBXGPOCDI-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2,3-dimethylbutane?
The IUPAC name of 1,3-dimethoxy-2,3-dimethylbutane (CID 552148) is 1,3-dimethoxy-2,3-dimethylbutane.
What is the SMILES notation for 1,3-dimethoxy-2,3-dimethylbutane?
The canonical SMILES for 1,3-dimethoxy-2,3-dimethylbutane is COCC(C)C(C)(C)OC.
What is the InChIKey of 1,3-dimethoxy-2,3-dimethylbutane?
The InChIKey is UYKQHTBXGPOCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(6-9-4)8(2,3)10-5/h7H,6H2,1-5H3.
What are the key properties of 1,3-dimethoxy-2,3-dimethylbutane?
1,3-dimethoxy-2,3-dimethylbutane has a molecular weight of 146.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2,3-dimethylbutane is sourced from PubChem (CID 552148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).