10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene

C13H18 — CID 91198196

IUPAC10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene
SMILESCC1(C)C2C=C3CCCC3=CC1C2
InChIInChI=1S/C13H18/c1-13(2)11-6-9-4-3-5-10(9)7-12(13)8-11/h6-7,11-12H,3-5,8H2,1-2H3
InChIKeyXJUZKQRSIKQBDN-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.70
Rot. Bonds

About 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene

10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene (PubChem CID 91198196) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene.

Molecular Properties

Compound Name10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene
PubChem CID91198196
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene
SMILESCC1(C)C2C=C3CCCC3=CC1C2
InChIInChI=1S/C13H18/c1-13(2)11-6-9-4-3-5-10(9)7-12(13)8-11/h6-7,11-12H,3-5,8H2,1-2H3
InChIKeyXJUZKQRSIKQBDN-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
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CID 154130948
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2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene?
The IUPAC name of 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene (CID 91198196) is 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene.
What is the SMILES notation for 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene?
The canonical SMILES for 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene is CC1(C)C2C=C3CCCC3=CC1C2.
What is the InChIKey of 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene?
The InChIKey is XJUZKQRSIKQBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-13(2)11-6-9-4-3-5-10(9)7-12(13)8-11/h6-7,11-12H,3-5,8H2,1-2H3.
What are the key properties of 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene?
10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene has a molecular weight of 174.29 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene is sourced from PubChem (CID 91198196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).