3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane

C17H20 — CID 563000

IUPAC3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane
SMILESC=C1C(c2ccccc2)CC2C3CCC(C3)C12
InChIInChI=1S/C17H20/c1-11-15(12-5-3-2-4-6-12)10-16-13-7-8-14(9-13)17(11)16/h2-6,13-17H,1,7-10H2
InChIKeyFRQWZQWARNDPJZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.39
Rot. Bonds1

About 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane

3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane (PubChem CID 563000) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane
PubChem CID563000
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane
SMILESC=C1C(c2ccccc2)CC2C3CCC(C3)C12
InChIInChI=1S/C17H20/c1-11-15(12-5-3-2-4-6-12)10-16-13-7-8-14(9-13)17(11)16/h2-6,13-17H,1,7-10H2
InChIKeyFRQWZQWARNDPJZ-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.39
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-methylidene-4-phenyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane (CID 563000) is 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane is C=C1C(c2ccccc2)CC2C3CCC(C3)C12.
What is the InChIKey of 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane?
The InChIKey is FRQWZQWARNDPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-11-15(12-5-3-2-4-6-12)10-16-13-7-8-14(9-13)17(11)16/h2-6,13-17H,1,7-10H2.
What are the key properties of 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane?
3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane has a molecular weight of 224.35 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-phenyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 563000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).