3-ethoxy-3-ethyl-2,2-dimethylpentane

C11H24O — CID 174477708

IUPAC3-ethoxy-3-ethyl-2,2-dimethylpentane
SMILESCCOC(CC)(CC)C(C)(C)C
InChIInChI=1S/C11H24O/c1-7-11(8-2,12-9-3)10(4,5)6/h7-9H2,1-6H3
InChIKeySWCHBTKZCNENJN-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds4

About 3-ethoxy-3-ethyl-2,2-dimethylpentane

3-ethoxy-3-ethyl-2,2-dimethylpentane (PubChem CID 174477708) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-2,2-dimethylpentane.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-2,2-dimethylpentane
PubChem CID174477708
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-ethoxy-3-ethyl-2,2-dimethylpentane
SMILESCCOC(CC)(CC)C(C)(C)C
InChIInChI=1S/C11H24O/c1-7-11(8-2,12-9-3)10(4,5)6/h7-9H2,1-6H3
InChIKeySWCHBTKZCNENJN-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-2,2-dimethylpentane?
The IUPAC name of 3-ethoxy-3-ethyl-2,2-dimethylpentane (CID 174477708) is 3-ethoxy-3-ethyl-2,2-dimethylpentane.
What is the SMILES notation for 3-ethoxy-3-ethyl-2,2-dimethylpentane?
The canonical SMILES for 3-ethoxy-3-ethyl-2,2-dimethylpentane is CCOC(CC)(CC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-3-ethyl-2,2-dimethylpentane?
The InChIKey is SWCHBTKZCNENJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-7-11(8-2,12-9-3)10(4,5)6/h7-9H2,1-6H3.
What are the key properties of 3-ethoxy-3-ethyl-2,2-dimethylpentane?
3-ethoxy-3-ethyl-2,2-dimethylpentane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-2,2-dimethylpentane is sourced from PubChem (CID 174477708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).