8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene

C14H22 — CID 59653739

IUPAC8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCCC1C2CC(C3CC=CC23)C1CC
InChIInChI=1S/C14H22/c1-3-9-10(4-2)14-8-13(9)11-6-5-7-12(11)14/h5-6,9-14H,3-4,7-8H2,1-2H3
InChIKeyVJIYVBVNHMUSEH-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.88
Rot. Bonds2

About 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene

8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 59653739) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene
PubChem CID59653739
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCCC1C2CC(C3CC=CC23)C1CC
InChIInChI=1S/C14H22/c1-3-9-10(4-2)14-8-13(9)11-6-5-7-12(11)14/h5-6,9-14H,3-4,7-8H2,1-2H3
InChIKeyVJIYVBVNHMUSEH-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.88
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

[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
CID 15508536
8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
CID 59861025
9-butyl-8-(3-ethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]dec-3-ene
CID 59804621
8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
CID 22949638
(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene
CID 177450624
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
(1S,3R,6S)-pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
CID 169451262
(1R,7S,8R,12S)-3-ethyl-3-aluminatetracyclo[5.5.1.02,6.08,12]tridec-9-ene
CID 177478102
[9-(2-ethenoxyethoxymethyl)-8-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
CID 15508538
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
CID 153454980
(1S,3R)-1-[(Z)-2-[(1R,3R)-3-ethyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-3-[(Z)-2-[(1S,3R)-3-[(Z)-2-[(1S,3S)-3-ethyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 176762705
4-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-11-enyl propanoate
CID 102096680

Frequently Asked Questions

What is the IUPAC name of 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene (CID 59653739) is 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene is CCC1C2CC(C3CC=CC23)C1CC.
What is the InChIKey of 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is VJIYVBVNHMUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-9-10(4-2)14-8-13(9)11-6-5-7-12(11)14/h5-6,9-14H,3-4,7-8H2,1-2H3.
What are the key properties of 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene?
8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 190.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 59653739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).