pentacyclo[5.1.0.02,4.03,5.06,8]octane

C8H8 — CID 14087126

IUPACpentacyclo[5.1.0.02,4.03,5.06,8]octane
SMILESC12C3C1C1C4C1C4C23
InChIInChI=1S/C8H8/c1-2-5(1)7-3-4(7)8(3)6(1)2/h1-8H
InChIKeyJSPVPCAAWZVNID-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.98
Rot. Bonds

About pentacyclo[5.1.0.02,4.03,5.06,8]octane

pentacyclo[5.1.0.02,4.03,5.06,8]octane (PubChem CID 14087126) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is pentacyclo[5.1.0.02,4.03,5.06,8]octane.

Molecular Properties

Compound Namepentacyclo[5.1.0.02,4.03,5.06,8]octane
PubChem CID14087126
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Namepentacyclo[5.1.0.02,4.03,5.06,8]octane
SMILESC12C3C1C1C4C1C4C23
InChIInChI=1S/C8H8/c1-2-5(1)7-3-4(7)8(3)6(1)2/h1-8H
InChIKeyJSPVPCAAWZVNID-UHFFFAOYSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[5.1.0.02,4.03,5.06,8]octane?
The IUPAC name of pentacyclo[5.1.0.02,4.03,5.06,8]octane (CID 14087126) is pentacyclo[5.1.0.02,4.03,5.06,8]octane.
What is the SMILES notation for pentacyclo[5.1.0.02,4.03,5.06,8]octane?
The canonical SMILES for pentacyclo[5.1.0.02,4.03,5.06,8]octane is C12C3C1C1C4C1C4C23.
What is the InChIKey of pentacyclo[5.1.0.02,4.03,5.06,8]octane?
The InChIKey is JSPVPCAAWZVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-2-5(1)7-3-4(7)8(3)6(1)2/h1-8H.
What are the key properties of pentacyclo[5.1.0.02,4.03,5.06,8]octane?
pentacyclo[5.1.0.02,4.03,5.06,8]octane has a molecular weight of 104.15 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[5.1.0.02,4.03,5.06,8]octane is sourced from PubChem (CID 14087126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).