3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane

C15H24 — CID 91160759

IUPAC3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane
SMILESCC=C(C)C12CC3CC(C)(CC1(C)C3)C2
InChIInChI=1S/C15H24/c1-5-11(2)15-8-12-6-13(3,10-15)9-14(15,4)7-12/h5,12H,6-10H2,1-4H3
InChIKeyZWQXMJVFAPVQSD-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds1

About 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane

3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane (PubChem CID 91160759) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane
PubChem CID91160759
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane
SMILESCC=C(C)C12CC3CC(C)(CC1(C)C3)C2
InChIInChI=1S/C15H24/c1-5-11(2)15-8-12-6-13(3,10-15)9-14(15,4)7-12/h5,12H,6-10H2,1-4H3
InChIKeyZWQXMJVFAPVQSD-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.56
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 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane?
The IUPAC name of 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane (CID 91160759) is 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane?
The canonical SMILES for 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane is CC=C(C)C12CC3CC(C)(CC1(C)C3)C2.
What is the InChIKey of 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane?
The InChIKey is ZWQXMJVFAPVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-11(2)15-8-12-6-13(3,10-15)9-14(15,4)7-12/h5,12H,6-10H2,1-4H3.
What are the key properties of 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane?
3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane has a molecular weight of 204.36 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-1,7-dimethyltricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 91160759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).