5,5-dimethyltricyclo[5.2.1.03,9]decane

C12H20 — CID 123402715

IUPAC5,5-dimethyltricyclo[5.2.1.03,9]decane
SMILESCC1(C)CC2CC3CC(C1)C3C2
InChIInChI=1S/C12H20/c1-12(2)6-8-3-9-5-10(7-12)11(9)4-8/h8-11H,3-7H2,1-2H3
InChIKeyLBGAVKKRUGOITE-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds

About 5,5-dimethyltricyclo[5.2.1.03,9]decane

5,5-dimethyltricyclo[5.2.1.03,9]decane (PubChem CID 123402715) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5,5-dimethyltricyclo[5.2.1.03,9]decane.

Molecular Properties

Compound Name5,5-dimethyltricyclo[5.2.1.03,9]decane
PubChem CID123402715
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5,5-dimethyltricyclo[5.2.1.03,9]decane
SMILESCC1(C)CC2CC3CC(C1)C3C2
InChIInChI=1S/C12H20/c1-12(2)6-8-3-9-5-10(7-12)11(9)4-8/h8-11H,3-7H2,1-2H3
InChIKeyLBGAVKKRUGOITE-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyltricyclo[5.2.1.03,9]decane?
The IUPAC name of 5,5-dimethyltricyclo[5.2.1.03,9]decane (CID 123402715) is 5,5-dimethyltricyclo[5.2.1.03,9]decane.
What is the SMILES notation for 5,5-dimethyltricyclo[5.2.1.03,9]decane?
The canonical SMILES for 5,5-dimethyltricyclo[5.2.1.03,9]decane is CC1(C)CC2CC3CC(C1)C3C2.
What is the InChIKey of 5,5-dimethyltricyclo[5.2.1.03,9]decane?
The InChIKey is LBGAVKKRUGOITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-12(2)6-8-3-9-5-10(7-12)11(9)4-8/h8-11H,3-7H2,1-2H3.
What are the key properties of 5,5-dimethyltricyclo[5.2.1.03,9]decane?
5,5-dimethyltricyclo[5.2.1.03,9]decane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyltricyclo[5.2.1.03,9]decane is sourced from PubChem (CID 123402715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).