1-ethoxy-2,2-dimethylbutane

C8H18O — CID 18728777

IUPAC1-ethoxy-2,2-dimethylbutane
SMILESCCOCC(C)(C)CC
InChIInChI=1S/C8H18O/c1-5-8(3,4)7-9-6-2/h5-7H2,1-4H3
InChIKeyFRCZWPYIXAFAEM-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds4

About 1-ethoxy-2,2-dimethylbutane

1-ethoxy-2,2-dimethylbutane (PubChem CID 18728777) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-ethoxy-2,2-dimethylbutane.

Molecular Properties

Compound Name1-ethoxy-2,2-dimethylbutane
PubChem CID18728777
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name1-ethoxy-2,2-dimethylbutane
SMILESCCOCC(C)(C)CC
InChIInChI=1S/C8H18O/c1-5-8(3,4)7-9-6-2/h5-7H2,1-4H3
InChIKeyFRCZWPYIXAFAEM-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2-dimethylbutane?
The IUPAC name of 1-ethoxy-2,2-dimethylbutane (CID 18728777) is 1-ethoxy-2,2-dimethylbutane.
What is the SMILES notation for 1-ethoxy-2,2-dimethylbutane?
The canonical SMILES for 1-ethoxy-2,2-dimethylbutane is CCOCC(C)(C)CC.
What is the InChIKey of 1-ethoxy-2,2-dimethylbutane?
The InChIKey is FRCZWPYIXAFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-8(3,4)7-9-6-2/h5-7H2,1-4H3.
What are the key properties of 1-ethoxy-2,2-dimethylbutane?
1-ethoxy-2,2-dimethylbutane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2-dimethylbutane is sourced from PubChem (CID 18728777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).