pentacyclo[3.2.0.01,6.02,4.02,5]heptane

C7H6 — CID 22959228

IUPACpentacyclo[3.2.0.01,6.02,4.02,5]heptane
SMILESC1C2C13C14CC1C234
InChIInChI=1S/C7H6/c1-3-5(1)6-2-4(6)7(3,5)6/h3-4H,1-2H2
InChIKeyRMIXCYZKWLWSCS-UHFFFAOYSA-N
MW90.13 g/mol
LogP1.03
Rot. Bonds

About pentacyclo[3.2.0.01,6.02,4.02,5]heptane

pentacyclo[3.2.0.01,6.02,4.02,5]heptane (PubChem CID 22959228) has the molecular formula C7H6 and a molecular weight of 90.13 g/mol. Its IUPAC name is pentacyclo[3.2.0.01,6.02,4.02,5]heptane.

Molecular Properties

Compound Namepentacyclo[3.2.0.01,6.02,4.02,5]heptane
PubChem CID22959228
Molecular FormulaC7H6
Molecular Weight90.13 g/mol
Exact Mass90.05
IUPAC Namepentacyclo[3.2.0.01,6.02,4.02,5]heptane
SMILESC1C2C13C14CC1C234
InChIInChI=1S/C7H6/c1-3-5(1)6-2-4(6)7(3,5)6/h3-4H,1-2H2
InChIKeyRMIXCYZKWLWSCS-UHFFFAOYSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.13
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[3.2.0.01,6.02,4.02,5]heptane?
The IUPAC name of pentacyclo[3.2.0.01,6.02,4.02,5]heptane (CID 22959228) is pentacyclo[3.2.0.01,6.02,4.02,5]heptane.
What is the SMILES notation for pentacyclo[3.2.0.01,6.02,4.02,5]heptane?
The canonical SMILES for pentacyclo[3.2.0.01,6.02,4.02,5]heptane is C1C2C13C14CC1C234.
What is the InChIKey of pentacyclo[3.2.0.01,6.02,4.02,5]heptane?
The InChIKey is RMIXCYZKWLWSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6/c1-3-5(1)6-2-4(6)7(3,5)6/h3-4H,1-2H2.
What are the key properties of pentacyclo[3.2.0.01,6.02,4.02,5]heptane?
pentacyclo[3.2.0.01,6.02,4.02,5]heptane has a molecular weight of 90.13 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[3.2.0.01,6.02,4.02,5]heptane is sourced from PubChem (CID 22959228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).