7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene

C12H16 — CID 176762970

IUPAC7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene
SMILESCC1=C(C)C2CC3CC4C1CC324
InChIInChI=1S/C12H16/c1-6-7(2)10-3-8-4-11-9(6)5-12(8,10)11/h8-11H,3-5H2,1-2H3
InChIKeySXARQSYTBRPRJR-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.00
Rot. Bonds

About 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene

7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene (PubChem CID 176762970) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene.

Molecular Properties

Compound Name7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene
PubChem CID176762970
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene
SMILESCC1=C(C)C2CC3CC4C1CC324
InChIInChI=1S/C12H16/c1-6-7(2)10-3-8-4-11-9(6)5-12(8,10)11/h8-11H,3-5H2,1-2H3
InChIKeySXARQSYTBRPRJR-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene?
The IUPAC name of 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene (CID 176762970) is 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene.
What is the SMILES notation for 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene?
The canonical SMILES for 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene is CC1=C(C)C2CC3CC4C1CC324.
What is the InChIKey of 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene?
The InChIKey is SXARQSYTBRPRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-6-7(2)10-3-8-4-11-9(6)5-12(8,10)11/h8-11H,3-5H2,1-2H3.
What are the key properties of 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene?
7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene has a molecular weight of 160.26 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyltetracyclo[4.4.0.01,4.02,9]dec-7-ene is sourced from PubChem (CID 176762970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).