(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene

C12H18 — CID 5367028

IUPAC(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
SMILESC/C1=C/C=C/CC/C(C)=C/CC1
InChIInChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3+,11-7-,12-10+
InChIKeyACTKFDMFHYIKRY-RBYFDUKXSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene

(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene (PubChem CID 5367028) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene.

Molecular Properties

Compound Name(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
PubChem CID5367028
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
SMILESC/C1=C/C=C/CC/C(C)=C/CC1
InChIInChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3+,11-7-,12-10+
InChIKeyACTKFDMFHYIKRY-RBYFDUKXSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
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 (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene?
The IUPAC name of (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene (CID 5367028) is (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene.
What is the SMILES notation for (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene?
The canonical SMILES for (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene is C/C1=C/C=C/CC/C(C)=C/CC1.
What is the InChIKey of (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene?
The InChIKey is ACTKFDMFHYIKRY-RBYFDUKXSA-N. The full InChI is InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3+,11-7-,12-10+.
What are the key properties of (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene?
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene is sourced from PubChem (CID 5367028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).