2,3,5,7-tetramethylcycloocta-1,3,5-triene

C12H18 — CID 123369024

IUPAC2,3,5,7-tetramethylcycloocta-1,3,5-triene
SMILESCC1=CC(C)CC=C(C)C(C)=C1
InChIInChI=1S/C12H18/c1-9-5-6-11(3)12(4)8-10(2)7-9/h6-9H,5H2,1-4H3
InChIKeyODQDNDRGERDRJF-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds

About 2,3,5,7-tetramethylcycloocta-1,3,5-triene

2,3,5,7-tetramethylcycloocta-1,3,5-triene (PubChem CID 123369024) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,3,5,7-tetramethylcycloocta-1,3,5-triene.

Molecular Properties

Compound Name2,3,5,7-tetramethylcycloocta-1,3,5-triene
PubChem CID123369024
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,3,5,7-tetramethylcycloocta-1,3,5-triene
SMILESCC1=CC(C)CC=C(C)C(C)=C1
InChIInChI=1S/C12H18/c1-9-5-6-11(3)12(4)8-10(2)7-9/h6-9H,5H2,1-4H3
InChIKeyODQDNDRGERDRJF-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
CID 142036504
3,6-dimethylcyclohexa-1,5-diene-1-carboxylic acid
CID 123404809
2-[(1Z)-buta-1,3-dienyl]-3,5-dimethylcyclohexa-1,3-diene
CID 143422229
2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 123379590
1-methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
(3,5-dimethylcyclohexa-1,3-dien-1-yl)methanol
CID 142213617
N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine
CID 129197668
2,7-dimethyl-6,7-dihydroquinoline
CID 89495201
[(3,6-dimethylcyclohexa-1,5-dien-1-yl)methylamino]-[(2-methylpropan-2-yl)oxy]methanol
CID 163745243
2-(3-ethylhex-5-enyl)-3,5-dimethylcyclohexa-1,3-diene
CID 146761415
(3R)-3,6-dimethyl-3,4-dihydropyridine
CID 89130617
1,7-dimethyl-6,7-dihydroisoquinoline
CID 89495226

Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetramethylcycloocta-1,3,5-triene?
The IUPAC name of 2,3,5,7-tetramethylcycloocta-1,3,5-triene (CID 123369024) is 2,3,5,7-tetramethylcycloocta-1,3,5-triene.
What is the SMILES notation for 2,3,5,7-tetramethylcycloocta-1,3,5-triene?
The canonical SMILES for 2,3,5,7-tetramethylcycloocta-1,3,5-triene is CC1=CC(C)CC=C(C)C(C)=C1.
What is the InChIKey of 2,3,5,7-tetramethylcycloocta-1,3,5-triene?
The InChIKey is ODQDNDRGERDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9-5-6-11(3)12(4)8-10(2)7-9/h6-9H,5H2,1-4H3.
What are the key properties of 2,3,5,7-tetramethylcycloocta-1,3,5-triene?
2,3,5,7-tetramethylcycloocta-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetramethylcycloocta-1,3,5-triene is sourced from PubChem (CID 123369024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).