5-ethyl-3,6,7-trimethylcyclooctene

C13H24 — CID 123325813

IUPAC5-ethyl-3,6,7-trimethylcyclooctene
SMILESCCC1CC(C)C=CCC(C)C1C
InChIInChI=1S/C13H24/c1-5-13-9-10(2)7-6-8-11(3)12(13)4/h6-7,10-13H,5,8-9H2,1-4H3
InChIKeyZUUJZIVPJICJCH-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.27
Rot. Bonds1

About 5-ethyl-3,6,7-trimethylcyclooctene

5-ethyl-3,6,7-trimethylcyclooctene (PubChem CID 123325813) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 5-ethyl-3,6,7-trimethylcyclooctene.

Molecular Properties

Compound Name5-ethyl-3,6,7-trimethylcyclooctene
PubChem CID123325813
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name5-ethyl-3,6,7-trimethylcyclooctene
SMILESCCC1CC(C)C=CCC(C)C1C
InChIInChI=1S/C13H24/c1-5-13-9-10(2)7-6-8-11(3)12(13)4/h6-7,10-13H,5,8-9H2,1-4H3
InChIKeyZUUJZIVPJICJCH-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.27
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

(5R)-4-ethyl-5-methylcyclohexene
CID 154516565
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene
CID 123296538
(5R)-3,5-dimethylcyclohexene
CID 142981274
1,5-diethyl-2,3-dimethylcyclohexane
CID 557905
5,6-dimethylcyclohex-2-ene-1-thiol
CID 143060463
(1S)-5-methylcyclohex-3-en-1-amine
CID 175324553
ethane;(4S,5S)-4-ethyl-5-methylcycloheptene
CID 169190782
1-[(1S,5R)-5-methylcyclohex-3-en-1-yl]ethanone
CID 11040773
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
1-[(1S,2S,6S)-2-ethyl-6-methylcyclohex-3-en-1-yl]ethanone
CID 67530837
3-methylcyclobutene;sulfane
CID 90110313

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,6,7-trimethylcyclooctene?
The IUPAC name of 5-ethyl-3,6,7-trimethylcyclooctene (CID 123325813) is 5-ethyl-3,6,7-trimethylcyclooctene.
What is the SMILES notation for 5-ethyl-3,6,7-trimethylcyclooctene?
The canonical SMILES for 5-ethyl-3,6,7-trimethylcyclooctene is CCC1CC(C)C=CCC(C)C1C.
What is the InChIKey of 5-ethyl-3,6,7-trimethylcyclooctene?
The InChIKey is ZUUJZIVPJICJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-13-9-10(2)7-6-8-11(3)12(13)4/h6-7,10-13H,5,8-9H2,1-4H3.
What are the key properties of 5-ethyl-3,6,7-trimethylcyclooctene?
5-ethyl-3,6,7-trimethylcyclooctene has a molecular weight of 180.34 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,6,7-trimethylcyclooctene is sourced from PubChem (CID 123325813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).