tricyclo[3.3.0.01,3]octane

C8H12 — CID 123279715

IUPACtricyclo[3.3.0.01,3]octane
SMILESC1CC2CC3CC23C1
InChIInChI=1S/C8H12/c1-2-6-4-7-5-8(6,7)3-1/h6-7H,1-5H2
InChIKeyHWWYKVNYROQSBU-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.20
Rot. Bonds

About tricyclo[3.3.0.01,3]octane

tricyclo[3.3.0.01,3]octane (PubChem CID 123279715) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is tricyclo[3.3.0.01,3]octane.

Molecular Properties

Compound Nametricyclo[3.3.0.01,3]octane
PubChem CID123279715
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Nametricyclo[3.3.0.01,3]octane
SMILESC1CC2CC3CC23C1
InChIInChI=1S/C8H12/c1-2-6-4-7-5-8(6,7)3-1/h6-7H,1-5H2
InChIKeyHWWYKVNYROQSBU-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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Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.0.01,3]octane?
The IUPAC name of tricyclo[3.3.0.01,3]octane (CID 123279715) is tricyclo[3.3.0.01,3]octane.
What is the SMILES notation for tricyclo[3.3.0.01,3]octane?
The canonical SMILES for tricyclo[3.3.0.01,3]octane is C1CC2CC3CC23C1.
What is the InChIKey of tricyclo[3.3.0.01,3]octane?
The InChIKey is HWWYKVNYROQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-6-4-7-5-8(6,7)3-1/h6-7H,1-5H2.
What are the key properties of tricyclo[3.3.0.01,3]octane?
tricyclo[3.3.0.01,3]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[3.3.0.01,3]octane is sourced from PubChem (CID 123279715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).