spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]

C22H26 — CID 91734240

IUPACspiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]
SMILESC1C2C3CC4C2C2CC5(C4C3C12)C1C2CC3C4CC(C31)C5C42
InChIInChI=1S/C22H26/c1-6-7-2-11-15(6)14-5-22(19(11)16(7)10(1)14)20-12-3-8-9-4-13(17(8)20)21(22)18(9)12/h6-21H,1-5H2
InChIKeyWZMAFWCSLNNGPQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.92
Rot. Bonds

About spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]

spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane] (PubChem CID 91734240) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane].

Molecular Properties

Compound Namespiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]
PubChem CID91734240
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Namespiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]
SMILESC1C2C3CC4C2C2CC5(C4C3C12)C1C2CC3C4CC(C31)C5C42
InChIInChI=1S/C22H26/c1-6-7-2-11-15(6)14-5-22(19(11)16(7)10(1)14)20-12-3-8-9-4-13(17(8)20)21(22)18(9)12/h6-21H,1-5H2
InChIKeyWZMAFWCSLNNGPQ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]?
The IUPAC name of spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane] (CID 91734240) is spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane].
What is the SMILES notation for spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]?
The canonical SMILES for spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane] is C1C2C3CC4C2C2CC5(C4C3C12)C1C2CC3C4CC(C31)C5C42.
What is the InChIKey of spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]?
The InChIKey is WZMAFWCSLNNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-6-7-2-11-15(6)14-5-22(19(11)16(7)10(1)14)20-12-3-8-9-4-13(17(8)20)21(22)18(9)12/h6-21H,1-5H2.
What are the key properties of spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]?
spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane] has a molecular weight of 290.45 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane] is sourced from PubChem (CID 91734240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).