(1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene

C15H24 — CID 25244915

IUPAC(1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene
SMILESC/C1=C\C=C(\C(C)C)CC/C(C)=C/CC1
InChIInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6+,14-9+,15-11+
InChIKeyWYGLLWYGQRUNLF-XZCMGSLHSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds1

About (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene

(1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene (PubChem CID 25244915) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene.

Molecular Properties

Compound Name(1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene
PubChem CID25244915
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene
SMILESC/C1=C\C=C(\C(C)C)CC/C(C)=C/CC1
InChIInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6+,14-9+,15-11+
InChIKeyWYGLLWYGQRUNLF-XZCMGSLHSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.04
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 (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene?
The IUPAC name of (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene (CID 25244915) is (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene.
What is the SMILES notation for (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene?
The canonical SMILES for (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene is C/C1=C\C=C(\C(C)C)CC/C(C)=C/CC1.
What is the InChIKey of (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene?
The InChIKey is WYGLLWYGQRUNLF-XZCMGSLHSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6+,14-9+,15-11+.
What are the key properties of (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene?
(1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene is sourced from PubChem (CID 25244915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).