5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium

C17H22Y — CID 161316254

IUPAC5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium
SMILESCC1=C(C)C2CC1C1CC3C4C=CC(C4)C3C21.[Y]
InChIInChI=1S/C17H22.Y/c1-8-9(2)13-6-12(8)15-7-14-10-3-4-11(5-10)16(14)17(13)15;/h3-4,10-17H,5-7H2,1-2H3;
InChIKeyVJNORAVTRMAMDQ-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.04
Rot. Bonds

About 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium

5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium (PubChem CID 161316254) has the molecular formula C17H22Y and a molecular weight of 315.27 g/mol. Its IUPAC name is 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium.

Molecular Properties

Compound Name5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium
PubChem CID161316254
Molecular FormulaC17H22Y
Molecular Weight315.27 g/mol
Exact Mass315.08
IUPAC Name5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium
SMILESCC1=C(C)C2CC1C1CC3C4C=CC(C4)C3C21.[Y]
InChIInChI=1S/C17H22.Y/c1-8-9(2)13-6-12(8)15-7-14-10-3-4-11(5-10)16(14)17(13)15;/h3-4,10-17H,5-7H2,1-2H3;
InChIKeyVJNORAVTRMAMDQ-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.04
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 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium?
The IUPAC name of 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium (CID 161316254) is 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium.
What is the SMILES notation for 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium?
The canonical SMILES for 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium is CC1=C(C)C2CC1C1CC3C4C=CC(C4)C3C21.[Y].
What is the InChIKey of 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium?
The InChIKey is VJNORAVTRMAMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.Y/c1-8-9(2)13-6-12(8)15-7-14-10-3-4-11(5-10)16(14)17(13)15;/h3-4,10-17H,5-7H2,1-2H3;.
What are the key properties of 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium?
5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium has a molecular weight of 315.27 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;yttrium is sourced from PubChem (CID 161316254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).