1,6-dimethylcycloocta-1,3,6-triene

C10H14 — CID 123605160

IUPAC1,6-dimethylcycloocta-1,3,6-triene
SMILESCC1=CC=CCC(C)=CC1
InChIInChI=1S/C10H14/c1-9-5-3-4-6-10(2)8-7-9/h3-5,8H,6-7H2,1-2H3
InChIKeyYLNCREOCTNIUJM-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds

About 1,6-dimethylcycloocta-1,3,6-triene

1,6-dimethylcycloocta-1,3,6-triene (PubChem CID 123605160) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,6-dimethylcycloocta-1,3,6-triene.

Molecular Properties

Compound Name1,6-dimethylcycloocta-1,3,6-triene
PubChem CID123605160
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,6-dimethylcycloocta-1,3,6-triene
SMILESCC1=CC=CCC(C)=CC1
InChIInChI=1S/C10H14/c1-9-5-3-4-6-10(2)8-7-9/h3-5,8H,6-7H2,1-2H3
InChIKeyYLNCREOCTNIUJM-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
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

hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
bis(1-methylcyclopenta-1,3-diene);titanium
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1-methylcyclopenta-1,3-diene;platinum
CID 158937285
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
magnesium;hydride;bis(1-methylcyclopenta-1,3-diene)
CID 173083947
1,4-dimethylcyclohexa-1,4-diene
CID 4589179
1-methylcycloocta-1,3,6-triene
CID 72521543
acetaldehyde;ethane;1-methylcyclopenta-1,3-diene
CID 91150107
2,7-dimethylcyclodeca-1,4,7-triene
CID 162884907
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CID 145198191
sodium;di(cyclopenta-1,3-dien-1-yl)-methylsilane;hydride
CID 173341596
1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene
CID 158476538

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylcycloocta-1,3,6-triene?
The IUPAC name of 1,6-dimethylcycloocta-1,3,6-triene (CID 123605160) is 1,6-dimethylcycloocta-1,3,6-triene.
What is the SMILES notation for 1,6-dimethylcycloocta-1,3,6-triene?
The canonical SMILES for 1,6-dimethylcycloocta-1,3,6-triene is CC1=CC=CCC(C)=CC1.
What is the InChIKey of 1,6-dimethylcycloocta-1,3,6-triene?
The InChIKey is YLNCREOCTNIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-9-5-3-4-6-10(2)8-7-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1,6-dimethylcycloocta-1,3,6-triene?
1,6-dimethylcycloocta-1,3,6-triene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylcycloocta-1,3,6-triene is sourced from PubChem (CID 123605160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).