6-ethyltricyclo[3.2.1.01,4]oct-6-ene

C10H14 — CID 163586760

IUPAC6-ethyltricyclo[3.2.1.01,4]oct-6-ene
SMILESCCC1=CC23CCC2C1C3
InChIInChI=1S/C10H14/c1-2-7-5-10-4-3-9(10)8(7)6-10/h5,8-9H,2-4,6H2,1H3
InChIKeyGMCWCRDHKQFFPZ-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.75
Rot. Bonds1

About 6-ethyltricyclo[3.2.1.01,4]oct-6-ene

6-ethyltricyclo[3.2.1.01,4]oct-6-ene (PubChem CID 163586760) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 6-ethyltricyclo[3.2.1.01,4]oct-6-ene.

Molecular Properties

Compound Name6-ethyltricyclo[3.2.1.01,4]oct-6-ene
PubChem CID163586760
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name6-ethyltricyclo[3.2.1.01,4]oct-6-ene
SMILESCCC1=CC23CCC2C1C3
InChIInChI=1S/C10H14/c1-2-7-5-10-4-3-9(10)8(7)6-10/h5,8-9H,2-4,6H2,1H3
InChIKeyGMCWCRDHKQFFPZ-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.75
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

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CID 91435039
(1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene]
CID 130198240
7-but-1-en-2-yl-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-ol
CID 123721170
6-ethyl-1,2,3,3a,4,6a-hexahydropentalene
CID 23282973
[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol
CID 12040933
[(1S,4S,9S,10R,13R)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol
CID 162941122
3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene
CID 123544854
(1S,4S,6R,9S,10S,13R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-6-ol
CID 38352759
7,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-6-en-8-ol
CID 162899953
1-(cyclohexen-1-yl)-3-propylbicyclo[2.2.0]hexane
CID 163848568
7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane
CID 163592465
2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol
CID 6437289

Frequently Asked Questions

What is the IUPAC name of 6-ethyltricyclo[3.2.1.01,4]oct-6-ene?
The IUPAC name of 6-ethyltricyclo[3.2.1.01,4]oct-6-ene (CID 163586760) is 6-ethyltricyclo[3.2.1.01,4]oct-6-ene.
What is the SMILES notation for 6-ethyltricyclo[3.2.1.01,4]oct-6-ene?
The canonical SMILES for 6-ethyltricyclo[3.2.1.01,4]oct-6-ene is CCC1=CC23CCC2C1C3.
What is the InChIKey of 6-ethyltricyclo[3.2.1.01,4]oct-6-ene?
The InChIKey is GMCWCRDHKQFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-7-5-10-4-3-9(10)8(7)6-10/h5,8-9H,2-4,6H2,1H3.
What are the key properties of 6-ethyltricyclo[3.2.1.01,4]oct-6-ene?
6-ethyltricyclo[3.2.1.01,4]oct-6-ene has a molecular weight of 134.22 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyltricyclo[3.2.1.01,4]oct-6-ene is sourced from PubChem (CID 163586760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).