tricyclo[3.2.1.01,4]octane

C8H12 — CID 90707927

IUPACtricyclo[3.2.1.01,4]octane
SMILESC1CC23CCC2C1C3
InChIInChI=1S/C8H12/c1-3-8-4-2-7(8)6(1)5-8/h6-7H,1-5H2
InChIKeyZJHLPURETVPRTJ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.20
Rot. Bonds

About tricyclo[3.2.1.01,4]octane

tricyclo[3.2.1.01,4]octane (PubChem CID 90707927) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is tricyclo[3.2.1.01,4]octane.

Molecular Properties

Compound Nametricyclo[3.2.1.01,4]octane
PubChem CID90707927
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Nametricyclo[3.2.1.01,4]octane
SMILESC1CC23CCC2C1C3
InChIInChI=1S/C8H12/c1-3-8-4-2-7(8)6(1)5-8/h6-7H,1-5H2
InChIKeyZJHLPURETVPRTJ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tricyclo[3.3.1.01,4]nonane
CID 90787588
tetracyclo[5.2.1.01,5.04,8]decane
CID 123672107
2-cyclobutylspiro[2.4]heptane
CID 148790584
10-(3,3-dimethylcyclohexyl)spiro[4.5]decane
CID 90804483
pentacyclo[5.3.1.12,5.01,8.02,6]dodecane
CID 123567750
8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane
CID 123369397
3-butan-2-yltricyclo[3.2.1.01,4]octane
CID 123794716
7-azatricyclo[3.2.1.01,4]octane
CID 123313654
1-methyltricyclo[4.2.0.03,8]octane
CID 146747804
1-[1-[(2-sulfanyl-1-tricyclo[5.2.1.02,6]decanyl)oxy]ethenoxy]tricyclo[5.2.1.02,6]decane-2-thiol
CID 87738819
1-[1-[(2-sulfanyl-1-tricyclo[5.2.1.02,6]decanyl)oxy]ethoxy]tricyclo[5.2.1.02,6]decane-2-thiol
CID 141248512
heptacyclo[11.5.1.15,8.114,17.02,11.04,9.017,19]henicos-6-ene
CID 139633435

Frequently Asked Questions

What is the IUPAC name of tricyclo[3.2.1.01,4]octane?
The IUPAC name of tricyclo[3.2.1.01,4]octane (CID 90707927) is tricyclo[3.2.1.01,4]octane.
What is the SMILES notation for tricyclo[3.2.1.01,4]octane?
The canonical SMILES for tricyclo[3.2.1.01,4]octane is C1CC23CCC2C1C3.
What is the InChIKey of tricyclo[3.2.1.01,4]octane?
The InChIKey is ZJHLPURETVPRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-8-4-2-7(8)6(1)5-8/h6-7H,1-5H2.
What are the key properties of tricyclo[3.2.1.01,4]octane?
tricyclo[3.2.1.01,4]octane has a molecular weight of 108.18 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.2.1.01,4]octane is sourced from PubChem (CID 90707927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).