5,7,8-trimethyltricyclo[3.2.1.01,4]octane

C11H18 — CID 123174186

IUPAC5,7,8-trimethyltricyclo[3.2.1.01,4]octane
SMILESCC1CC2(C)C(C)C13CCC23
InChIInChI=1S/C11H18/c1-7-6-10(3)8(2)11(7)5-4-9(10)11/h7-9H,4-6H2,1-3H3
InChIKeyWVGCRUUVVYPFOJ-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.08
Rot. Bonds

About 5,7,8-trimethyltricyclo[3.2.1.01,4]octane

5,7,8-trimethyltricyclo[3.2.1.01,4]octane (PubChem CID 123174186) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 5,7,8-trimethyltricyclo[3.2.1.01,4]octane.

Molecular Properties

Compound Name5,7,8-trimethyltricyclo[3.2.1.01,4]octane
PubChem CID123174186
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name5,7,8-trimethyltricyclo[3.2.1.01,4]octane
SMILESCC1CC2(C)C(C)C13CCC23
InChIInChI=1S/C11H18/c1-7-6-10(3)8(2)11(7)5-4-9(10)11/h7-9H,4-6H2,1-3H3
InChIKeyWVGCRUUVVYPFOJ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 67917599
(3aS,5aR,7S,9aR)-3a,6,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 67917658
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CID 158329208
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(1S,4S,7R,9R,10S,13S,15S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-7,15,16-triol
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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethyltricyclo[3.2.1.01,4]octane?
The IUPAC name of 5,7,8-trimethyltricyclo[3.2.1.01,4]octane (CID 123174186) is 5,7,8-trimethyltricyclo[3.2.1.01,4]octane.
What is the SMILES notation for 5,7,8-trimethyltricyclo[3.2.1.01,4]octane?
The canonical SMILES for 5,7,8-trimethyltricyclo[3.2.1.01,4]octane is CC1CC2(C)C(C)C13CCC23.
What is the InChIKey of 5,7,8-trimethyltricyclo[3.2.1.01,4]octane?
The InChIKey is WVGCRUUVVYPFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-7-6-10(3)8(2)11(7)5-4-9(10)11/h7-9H,4-6H2,1-3H3.
What are the key properties of 5,7,8-trimethyltricyclo[3.2.1.01,4]octane?
5,7,8-trimethyltricyclo[3.2.1.01,4]octane has a molecular weight of 150.27 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethyltricyclo[3.2.1.01,4]octane is sourced from PubChem (CID 123174186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).