7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene

C13H14 — CID 123232045

IUPAC7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene
SMILESCC1=C(C2=CCC2)C2=C1C1CCC21
InChIInChI=1S/C13H14/c1-7-11(8-3-2-4-8)13-10-6-5-9(10)12(7)13/h3,9-10H,2,4-6H2,1H3
InChIKeyUOLCSGPPELZPGK-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.37
Rot. Bonds1

About 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene

7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene (PubChem CID 123232045) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene.

Molecular Properties

Compound Name7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene
PubChem CID123232045
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene
SMILESCC1=C(C2=CCC2)C2=C1C1CCC21
InChIInChI=1S/C13H14/c1-7-11(8-3-2-4-8)13-10-6-5-9(10)12(7)13/h3,9-10H,2,4-6H2,1H3
InChIKeyUOLCSGPPELZPGK-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene?
The IUPAC name of 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene (CID 123232045) is 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene.
What is the SMILES notation for 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene?
The canonical SMILES for 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene is CC1=C(C2=CCC2)C2=C1C1CCC21.
What is the InChIKey of 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene?
The InChIKey is UOLCSGPPELZPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-7-11(8-3-2-4-8)13-10-6-5-9(10)12(7)13/h3,9-10H,2,4-6H2,1H3.
What are the key properties of 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene?
7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene has a molecular weight of 170.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobuten-1-yl)-8-methyltricyclo[4.2.0.02,5]octa-1(6),7-diene is sourced from PubChem (CID 123232045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).