(11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C14H14 — CID 175574541

IUPAC(11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESC/C=C1\C2C=CC1(C)c1ccccc12
InChIInChI=1S/C14H14/c1-3-12-11-8-9-14(12,2)13-7-5-4-6-10(11)13/h3-9,11H,1-2H3/b12-3+
InChIKeyRQVULQDYPRJAEF-KGVSQERTSA-N
MW182.27 g/mol
LogP3.56
Rot. Bonds

About (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

(11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 175574541) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID175574541
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name(11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESC/C=C1\C2C=CC1(C)c1ccccc12
InChIInChI=1S/C14H14/c1-3-12-11-8-9-14(12,2)13-7-5-4-6-10(11)13/h3-9,11H,1-2H3/b12-3+
InChIKeyRQVULQDYPRJAEF-KGVSQERTSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.56
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 (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 175574541) is (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is C/C=C1\C2C=CC1(C)c1ccccc12.
What is the InChIKey of (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is RQVULQDYPRJAEF-KGVSQERTSA-N. The full InChI is InChI=1S/C14H14/c1-3-12-11-8-9-14(12,2)13-7-5-4-6-10(11)13/h3-9,11H,1-2H3/b12-3+.
What are the key properties of (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
(11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 182.27 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-11-ethylidene-1-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 175574541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).