nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane

C22H28 — CID 138395266

IUPACnonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane
SMILESC1C2CC3C4CC56CC7C8CCC7C7C8C5C(C14)C(C2)C3C76
InChIInChI=1S/C22H28/c1-2-10-14-6-22-7-15-11-3-8-4-12(15)17-13(5-8)16(11)20(22)18(9(1)14)19(10)21(17)22/h8-21H,1-7H2
InChIKeyRUWKRARAUZDZOV-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.45
Rot. Bonds

About nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane

nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane (PubChem CID 138395266) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane.

Molecular Properties

Compound Namenonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane
PubChem CID138395266
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Namenonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane
SMILESC1C2CC3C4CC56CC7C8CCC7C7C8C5C(C14)C(C2)C3C76
InChIInChI=1S/C22H28/c1-2-10-14-6-22-7-15-11-3-8-4-12(15)17-13(5-8)16(11)20(22)18(9(1)14)19(10)21(17)22/h8-21H,1-7H2
InChIKeyRUWKRARAUZDZOV-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane?
The IUPAC name of nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane (CID 138395266) is nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane.
What is the SMILES notation for nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane?
The canonical SMILES for nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane is C1C2CC3C4CC56CC7C8CCC7C7C8C5C(C14)C(C2)C3C76.
What is the InChIKey of nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane?
The InChIKey is RUWKRARAUZDZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-2-10-14-6-22-7-15-11-3-8-4-12(15)17-13(5-8)16(11)20(22)18(9(1)14)19(10)21(17)22/h8-21H,1-7H2.
What are the key properties of nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane?
nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane has a molecular weight of 292.47 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[10.8.1.12,18.03,16.05,14.05,21.07,11.08,13.015,20]docosane is sourced from PubChem (CID 138395266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).