tricyclo[3.3.0.02,7]octane

C8H12 — CID 13112141

IUPACtricyclo[3.3.0.02,7]octane
SMILESC1CC2C3CC1C2C3
InChIInChI=1S/C8H12/c1-2-7-6-3-5(1)8(7)4-6/h5-8H,1-4H2
InChIKeyFWABQYHXBQPJEP-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.05
Rot. Bonds

About tricyclo[3.3.0.02,7]octane

tricyclo[3.3.0.02,7]octane (PubChem CID 13112141) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is tricyclo[3.3.0.02,7]octane.

Molecular Properties

Compound Nametricyclo[3.3.0.02,7]octane
PubChem CID13112141
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Nametricyclo[3.3.0.02,7]octane
SMILESC1CC2C3CC1C2C3
InChIInChI=1S/C8H12/c1-2-7-6-3-5(1)8(7)4-6/h5-8H,1-4H2
InChIKeyFWABQYHXBQPJEP-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
pentacyclo[8.4.0.03,7.04,13.06,11]tetradecane
CID 604684
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
tricyclo[4.4.0.02,8]decane
CID 585864
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
3-(2-bicyclo[2.2.0]hexanyl)oxolane
CID 163700457
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
(2S,7R)-tricyclo[6.1.1.02,7]decane
CID 15939125
tetracyclo[6.6.2.22,7.19,14]nonadecane
CID 123381567
2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030

Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.0.02,7]octane?
The IUPAC name of tricyclo[3.3.0.02,7]octane (CID 13112141) is tricyclo[3.3.0.02,7]octane.
What is the SMILES notation for tricyclo[3.3.0.02,7]octane?
The canonical SMILES for tricyclo[3.3.0.02,7]octane is C1CC2C3CC1C2C3.
What is the InChIKey of tricyclo[3.3.0.02,7]octane?
The InChIKey is FWABQYHXBQPJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-7-6-3-5(1)8(7)4-6/h5-8H,1-4H2.
What are the key properties of tricyclo[3.3.0.02,7]octane?
tricyclo[3.3.0.02,7]octane has a molecular weight of 108.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.0.02,7]octane is sourced from PubChem (CID 13112141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).