3-ethyl-3-methylbicyclo[4.2.1]nonane

C12H22 — CID 146888637

IUPAC3-ethyl-3-methylbicyclo[4.2.1]nonane
SMILESCCC1(C)CCC2CCC(C2)C1
InChIInChI=1S/C12H22/c1-3-12(2)7-6-10-4-5-11(8-10)9-12/h10-11H,3-9H2,1-2H3
InChIKeySYHPXEPSKARSBN-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds1

About 3-ethyl-3-methylbicyclo[4.2.1]nonane

3-ethyl-3-methylbicyclo[4.2.1]nonane (PubChem CID 146888637) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-ethyl-3-methylbicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-ethyl-3-methylbicyclo[4.2.1]nonane
PubChem CID146888637
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-ethyl-3-methylbicyclo[4.2.1]nonane
SMILESCCC1(C)CCC2CCC(C2)C1
InChIInChI=1S/C12H22/c1-3-12(2)7-6-10-4-5-11(8-10)9-12/h10-11H,3-9H2,1-2H3
InChIKeySYHPXEPSKARSBN-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylbicyclo[4.2.1]nonane?
The IUPAC name of 3-ethyl-3-methylbicyclo[4.2.1]nonane (CID 146888637) is 3-ethyl-3-methylbicyclo[4.2.1]nonane.
What is the SMILES notation for 3-ethyl-3-methylbicyclo[4.2.1]nonane?
The canonical SMILES for 3-ethyl-3-methylbicyclo[4.2.1]nonane is CCC1(C)CCC2CCC(C2)C1.
What is the InChIKey of 3-ethyl-3-methylbicyclo[4.2.1]nonane?
The InChIKey is SYHPXEPSKARSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-12(2)7-6-10-4-5-11(8-10)9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-3-methylbicyclo[4.2.1]nonane?
3-ethyl-3-methylbicyclo[4.2.1]nonane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylbicyclo[4.2.1]nonane is sourced from PubChem (CID 146888637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).