5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene

C15H22 — CID 123377694

IUPAC5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene
SMILESCC(=CCC(C)C)C1C2C(C)=C3CC3C12
InChIInChI=1S/C15H22/c1-8(2)5-6-9(3)13-14-10(4)11-7-12(11)15(13)14/h6,8,12-15H,5,7H2,1-4H3
InChIKeyYVLJUATXGKGXMW-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.19
Rot. Bonds3

About 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene

5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene (PubChem CID 123377694) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene.

Molecular Properties

Compound Name5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene
PubChem CID123377694
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene
SMILESCC(=CCC(C)C)C1C2C(C)=C3CC3C12
InChIInChI=1S/C15H22/c1-8(2)5-6-9(3)13-14-10(4)11-7-12(11)15(13)14/h6,8,12-15H,5,7H2,1-4H3
InChIKeyYVLJUATXGKGXMW-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.19
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 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene?
The IUPAC name of 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene (CID 123377694) is 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene.
What is the SMILES notation for 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene?
The canonical SMILES for 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene is CC(=CCC(C)C)C1C2C(C)=C3CC3C12.
What is the InChIKey of 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene?
The InChIKey is YVLJUATXGKGXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-8(2)5-6-9(3)13-14-10(4)11-7-12(11)15(13)14/h6,8,12-15H,5,7H2,1-4H3.
What are the key properties of 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene?
5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene has a molecular weight of 202.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene is sourced from PubChem (CID 123377694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).