2,7-dimethylcyclodeca-1,4,7-triene

C12H18 — CID 162884907

IUPAC2,7-dimethylcyclodeca-1,4,7-triene
SMILESCC1=CCCC=C(C)CC=CC1
InChIInChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3,5,8,10H,4,6-7,9H2,1-2H3
InChIKeyVOZHBIFQZBSRGT-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About 2,7-dimethylcyclodeca-1,4,7-triene

2,7-dimethylcyclodeca-1,4,7-triene (PubChem CID 162884907) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,7-dimethylcyclodeca-1,4,7-triene.

Molecular Properties

Compound Name2,7-dimethylcyclodeca-1,4,7-triene
PubChem CID162884907
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,7-dimethylcyclodeca-1,4,7-triene
SMILESCC1=CCCC=C(C)CC=CC1
InChIInChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3,5,8,10H,4,6-7,9H2,1-2H3
InChIKeyVOZHBIFQZBSRGT-UHFFFAOYSA-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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Related Compounds

(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene
CID 21159121
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
1,4-dimethylcyclohexa-1,4-diene
CID 4589179
1,6-dimethylcycloocta-1,3,6-triene
CID 123605160
(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 24798693
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
dichloropalladium;1-methylcycloocta-1,5-diene
CID 175566275
(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol
CID 143207326
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylcyclodeca-1,4,7-triene?
The IUPAC name of 2,7-dimethylcyclodeca-1,4,7-triene (CID 162884907) is 2,7-dimethylcyclodeca-1,4,7-triene.
What is the SMILES notation for 2,7-dimethylcyclodeca-1,4,7-triene?
The canonical SMILES for 2,7-dimethylcyclodeca-1,4,7-triene is CC1=CCCC=C(C)CC=CC1.
What is the InChIKey of 2,7-dimethylcyclodeca-1,4,7-triene?
The InChIKey is VOZHBIFQZBSRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3,5,8,10H,4,6-7,9H2,1-2H3.
What are the key properties of 2,7-dimethylcyclodeca-1,4,7-triene?
2,7-dimethylcyclodeca-1,4,7-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 2,7-dimethylcyclodeca-1,4,7-triene is sourced from PubChem (CID 162884907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).