(1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene

C12H16 — CID 163429403

IUPAC(1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene
SMILESC/C1=C2\C=C/C(=C/CCCC1)C2
InChIInChI=1S/C12H16/c1-10-5-3-2-4-6-11-7-8-12(10)9-11/h6-8H,2-5,9H2,1H3/b11-6+,12-10+
InChIKeyAPEKKGAQAZCNAR-BFPRWLMKSA-N
MW160.26 g/mol
LogP3.76
Rot. Bonds

About (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene

(1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene (PubChem CID 163429403) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene.

Molecular Properties

Compound Name(1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene
PubChem CID163429403
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene
SMILESC/C1=C2\C=C/C(=C/CCCC1)C2
InChIInChI=1S/C12H16/c1-10-5-3-2-4-6-11-7-8-12(10)9-11/h6-8H,2-5,9H2,1H3/b11-6+,12-10+
InChIKeyAPEKKGAQAZCNAR-BFPRWLMKSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(5E)-5-methylcyclodec-5-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene?
The IUPAC name of (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene (CID 163429403) is (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene.
What is the SMILES notation for (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene?
The canonical SMILES for (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene is C/C1=C2\C=C/C(=C/CCCC1)C2.
What is the InChIKey of (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene?
The InChIKey is APEKKGAQAZCNAR-BFPRWLMKSA-N. The full InChI is InChI=1S/C12H16/c1-10-5-3-2-4-6-11-7-8-12(10)9-11/h6-8H,2-5,9H2,1H3/b11-6+,12-10+.
What are the key properties of (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene?
(1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene has a molecular weight of 160.26 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene is sourced from PubChem (CID 163429403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).