(5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene

C17H26O — CID 134331547

IUPAC(5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene
SMILESCC(C)(C)OC12C=CC(C1)C1CC/C=C\CCC12
InChIInChI=1S/C17H26O/c1-16(2,3)18-17-11-10-13(12-17)14-8-6-4-5-7-9-15(14)17/h4-5,10-11,13-15H,6-9,12H2,1-3H3/b5-4-
InChIKeyGUYSARCDGCPPHV-PLNGDYQASA-N
MW246.39 g/mol
LogP4.49
Rot. Bonds1

About (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene

(5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene (PubChem CID 134331547) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene.

Molecular Properties

Compound Name(5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene
PubChem CID134331547
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene
SMILESCC(C)(C)OC12C=CC(C1)C1CC/C=C\CCC12
InChIInChI=1S/C17H26O/c1-16(2,3)18-17-11-10-13(12-17)14-8-6-4-5-7-9-15(14)17/h4-5,10-11,13-15H,6-9,12H2,1-3H3/b5-4-
InChIKeyGUYSARCDGCPPHV-PLNGDYQASA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene?
The IUPAC name of (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene (CID 134331547) is (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene.
What is the SMILES notation for (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene?
The canonical SMILES for (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene is CC(C)(C)OC12C=CC(C1)C1CC/C=C\CCC12.
What is the InChIKey of (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene?
The InChIKey is GUYSARCDGCPPHV-PLNGDYQASA-N. The full InChI is InChI=1S/C17H26O/c1-16(2,3)18-17-11-10-13(12-17)14-8-6-4-5-7-9-15(14)17/h4-5,10-11,13-15H,6-9,12H2,1-3H3/b5-4-.
What are the key properties of (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene?
(5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene has a molecular weight of 246.39 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene is sourced from PubChem (CID 134331547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).