tricyclo[3.2.1.03,8]oct-1-ene

C8H10 — CID 146956632

IUPACtricyclo[3.2.1.03,8]oct-1-ene
SMILESC1=C2CCC3CC1C23
InChIInChI=1S/C8H10/c1-2-6-4-7-3-5(1)8(6)7/h3,6-8H,1-2,4H2
InChIKeyAJTOITOBEMOYEJ-UHFFFAOYSA-N
MW106.17 g/mol
LogP1.97
Rot. Bonds

About tricyclo[3.2.1.03,8]oct-1-ene

tricyclo[3.2.1.03,8]oct-1-ene (PubChem CID 146956632) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is tricyclo[3.2.1.03,8]oct-1-ene.

Molecular Properties

Compound Nametricyclo[3.2.1.03,8]oct-1-ene
PubChem CID146956632
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Nametricyclo[3.2.1.03,8]oct-1-ene
SMILESC1=C2CCC3CC1C23
InChIInChI=1S/C8H10/c1-2-6-4-7-3-5(1)8(6)7/h3,6-8H,1-2,4H2
InChIKeyAJTOITOBEMOYEJ-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 51.97
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

4-oxatricyclo[5.2.1.02,6]dec-1(10)-ene-3,5-dione
CID 90064295
1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine
CID 142272157
6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene
CID 123941460
1,2,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-tetradecahydropyrene-1,2-diol
CID 71335081
(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
CID 129321356
(1R,2R,4S,5S,8R,9R,11R,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadecane-3,10-dione
CID 98477807
(10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
CID 110210989
(1S,2S,9R,10S)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
CID 124909606
(1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one
CID 91249500
(1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
CID 162985065
(1R,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
CID 101144370
2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine
CID 174180345

Frequently Asked Questions

What is the IUPAC name of tricyclo[3.2.1.03,8]oct-1-ene?
The IUPAC name of tricyclo[3.2.1.03,8]oct-1-ene (CID 146956632) is tricyclo[3.2.1.03,8]oct-1-ene.
What is the SMILES notation for tricyclo[3.2.1.03,8]oct-1-ene?
The canonical SMILES for tricyclo[3.2.1.03,8]oct-1-ene is C1=C2CCC3CC1C23.
What is the InChIKey of tricyclo[3.2.1.03,8]oct-1-ene?
The InChIKey is AJTOITOBEMOYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-6-4-7-3-5(1)8(6)7/h3,6-8H,1-2,4H2.
What are the key properties of tricyclo[3.2.1.03,8]oct-1-ene?
tricyclo[3.2.1.03,8]oct-1-ene has a molecular weight of 106.17 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.2.1.03,8]oct-1-ene is sourced from PubChem (CID 146956632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).