1,3-dimethylbicyclo[4.2.1]nonane

C11H20 — CID 152820213

IUPAC1,3-dimethylbicyclo[4.2.1]nonane
SMILESCC1CCC2CCC(C)(C1)C2
InChIInChI=1S/C11H20/c1-9-3-4-10-5-6-11(2,7-9)8-10/h9-10H,3-8H2,1-2H3
InChIKeyWEMLJVMRRDMBBE-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds

About 1,3-dimethylbicyclo[4.2.1]nonane

1,3-dimethylbicyclo[4.2.1]nonane (PubChem CID 152820213) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1,3-dimethylbicyclo[4.2.1]nonane.

Molecular Properties

Compound Name1,3-dimethylbicyclo[4.2.1]nonane
PubChem CID152820213
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1,3-dimethylbicyclo[4.2.1]nonane
SMILESCC1CCC2CCC(C)(C1)C2
InChIInChI=1S/C11H20/c1-9-3-4-10-5-6-11(2,7-9)8-10/h9-10H,3-8H2,1-2H3
InChIKeyWEMLJVMRRDMBBE-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylbicyclo[4.2.1]nonane?
The IUPAC name of 1,3-dimethylbicyclo[4.2.1]nonane (CID 152820213) is 1,3-dimethylbicyclo[4.2.1]nonane.
What is the SMILES notation for 1,3-dimethylbicyclo[4.2.1]nonane?
The canonical SMILES for 1,3-dimethylbicyclo[4.2.1]nonane is CC1CCC2CCC(C)(C1)C2.
What is the InChIKey of 1,3-dimethylbicyclo[4.2.1]nonane?
The InChIKey is WEMLJVMRRDMBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-9-3-4-10-5-6-11(2,7-9)8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethylbicyclo[4.2.1]nonane?
1,3-dimethylbicyclo[4.2.1]nonane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbicyclo[4.2.1]nonane is sourced from PubChem (CID 152820213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).