4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane

C22H28 — CID 20681747

IUPAC4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane
SMILESCC1CC2(C)C3(C)C(C)C4C5CC6C7CCC8C1C21C78C65C431
InChIInChI=1S/C22H28/c1-9-8-17(3)18(4)10(2)16-14-7-13-11-5-6-12-15(9)21(17)19(11,12)20(13,14)22(16,18)21/h9-16H,5-8H2,1-4H3
InChIKeyQORRSYSIODUJAF-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.60
Rot. Bonds

About 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane

4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane (PubChem CID 20681747) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane.

Molecular Properties

Compound Name4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane
PubChem CID20681747
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane
SMILESCC1CC2(C)C3(C)C(C)C4C5CC6C7CCC8C1C21C78C65C431
InChIInChI=1S/C22H28/c1-9-8-17(3)18(4)10(2)16-14-7-13-11-5-6-12-15(9)21(17)19(11,12)20(13,14)22(16,18)21/h9-16H,5-8H2,1-4H3
InChIKeyQORRSYSIODUJAF-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane?
The IUPAC name of 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane (CID 20681747) is 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane.
What is the SMILES notation for 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane?
The canonical SMILES for 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane is CC1CC2(C)C3(C)C(C)C4C5CC6C7CCC8C1C21C78C65C431.
What is the InChIKey of 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane?
The InChIKey is QORRSYSIODUJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-9-8-17(3)18(4)10(2)16-14-7-13-11-5-6-12-15(9)21(17)19(11,12)20(13,14)22(16,18)21/h9-16H,5-8H2,1-4H3.
What are the key properties of 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane?
4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane has a molecular weight of 292.47 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,15,17-tetramethylnonacyclo[8.8.0.01,13.02,7.02,9.03,6.03,18.04,17.014,18]octadecane is sourced from PubChem (CID 20681747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).