pentacyclo[5.4.0.02,6.03,10.05,9]undecane

C11H14 — CID 12522353

IUPACpentacyclo[5.4.0.02,6.03,10.05,9]undecane
SMILESC1C2C3CC4C5CC3C1C5C24
InChIInChI=1S/C11H14/c1-4-5-2-9-8(1)10-6(4)3-7(5)11(9)10/h4-11H,1-3H2
InChIKeySXGVYASPCBBKMF-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.15
Rot. Bonds

About pentacyclo[5.4.0.02,6.03,10.05,9]undecane

pentacyclo[5.4.0.02,6.03,10.05,9]undecane (PubChem CID 12522353) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is pentacyclo[5.4.0.02,6.03,10.05,9]undecane.

Molecular Properties

Compound Namepentacyclo[5.4.0.02,6.03,10.05,9]undecane
PubChem CID12522353
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Namepentacyclo[5.4.0.02,6.03,10.05,9]undecane
SMILESC1C2C3CC4C5CC3C1C5C24
InChIInChI=1S/C11H14/c1-4-5-2-9-8(1)10-6(4)3-7(5)11(9)10/h4-11H,1-3H2
InChIKeySXGVYASPCBBKMF-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[5.4.0.02,6.03,10.05,9]undecane?
The IUPAC name of pentacyclo[5.4.0.02,6.03,10.05,9]undecane (CID 12522353) is pentacyclo[5.4.0.02,6.03,10.05,9]undecane.
What is the SMILES notation for pentacyclo[5.4.0.02,6.03,10.05,9]undecane?
The canonical SMILES for pentacyclo[5.4.0.02,6.03,10.05,9]undecane is C1C2C3CC4C5CC3C1C5C24.
What is the InChIKey of pentacyclo[5.4.0.02,6.03,10.05,9]undecane?
The InChIKey is SXGVYASPCBBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-4-5-2-9-8(1)10-6(4)3-7(5)11(9)10/h4-11H,1-3H2.
What are the key properties of pentacyclo[5.4.0.02,6.03,10.05,9]undecane?
pentacyclo[5.4.0.02,6.03,10.05,9]undecane has a molecular weight of 146.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[5.4.0.02,6.03,10.05,9]undecane is sourced from PubChem (CID 12522353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).