3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane

C13H24O — CID 70370724

IUPAC3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane
SMILESCCOC1C2CCC(C2(C)C)C1(C)C
InChIInChI=1S/C13H24O/c1-6-14-11-9-7-8-10(12(9,2)3)13(11,4)5/h9-11H,6-8H2,1-5H3
InChIKeyNDEXFDMLBBWTDS-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.48
Rot. Bonds2

About 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane

3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane (PubChem CID 70370724) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane
PubChem CID70370724
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane
SMILESCCOC1C2CCC(C2(C)C)C1(C)C
InChIInChI=1S/C13H24O/c1-6-14-11-9-7-8-10(12(9,2)3)13(11,4)5/h9-11H,6-8H2,1-5H3
InChIKeyNDEXFDMLBBWTDS-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The IUPAC name of 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane (CID 70370724) is 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The canonical SMILES for 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane is CCOC1C2CCC(C2(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The InChIKey is NDEXFDMLBBWTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-14-11-9-7-8-10(12(9,2)3)13(11,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane?
3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane has a molecular weight of 196.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 70370724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).