4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene

C13H20 — CID 141412995

IUPAC4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene
SMILESCC1CC2=C(CC1C)C1CCC2C1
InChIInChI=1S/C13H20/c1-8-5-12-10-3-4-11(7-10)13(12)6-9(8)2/h8-11H,3-7H2,1-2H3
InChIKeyFNKLZROEUYFFOM-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.78
Rot. Bonds

About 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene

4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene (PubChem CID 141412995) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene.

Molecular Properties

Compound Name4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene
PubChem CID141412995
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene
SMILESCC1CC2=C(CC1C)C1CCC2C1
InChIInChI=1S/C13H20/c1-8-5-12-10-3-4-11(7-10)13(12)6-9(8)2/h8-11H,3-7H2,1-2H3
InChIKeyFNKLZROEUYFFOM-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,7R)-tricyclo[5.2.1.02,6]dec-2(6)-ene
CID 13425243
(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene
CID 101249321
(1R,4R,9S,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),6-diene-5,8-dione
CID 13484355
4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol
CID 130126509
2-methylidene-5-(5-methylidene-2-bicyclo[2.2.1]heptanylidene)bicyclo[2.2.1]heptane
CID 91437730
(1S,3R,6S,8R)-tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 12649555
9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene
CID 54244186
2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
CID 57216990
1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 89175619
tricyclo[8.2.1.14,7]tetradecane-5,6,11,12-tetrone
CID 139469180
(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 50919081
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dione
CID 68535573

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene?
The IUPAC name of 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene (CID 141412995) is 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene.
What is the SMILES notation for 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene?
The canonical SMILES for 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene is CC1CC2=C(CC1C)C1CCC2C1.
What is the InChIKey of 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene?
The InChIKey is FNKLZROEUYFFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-8-5-12-10-3-4-11(7-10)13(12)6-9(8)2/h8-11H,3-7H2,1-2H3.
What are the key properties of 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene?
4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene has a molecular weight of 176.30 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyltricyclo[6.2.1.02,7]undec-2(7)-ene is sourced from PubChem (CID 141412995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).