15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene

C26H36Sn — CID 10027573

IUPAC15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESC[Sn]1(C)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C24H30.2CH3.Sn/c1-5-17-6-2-15(1)13-21(17)23-19-9-11-20(12-10-19)24(23)22-14-16-3-7-18(22)8-4-16;;;/h15-20H,1-12H2;2*1H3;
InChIKeyNKOKKWUIGRNJEW-UHFFFAOYSA-N
MW467.29 g/mol
LogP7.14
Rot. Bonds

About 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene

15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (PubChem CID 10027573) has the molecular formula C26H36Sn and a molecular weight of 467.29 g/mol. Its IUPAC name is 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene.

Molecular Properties

Compound Name15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
PubChem CID10027573
Molecular FormulaC26H36Sn
Molecular Weight467.29 g/mol
Exact Mass468.18
IUPAC Name15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESC[Sn]1(C)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C24H30.2CH3.Sn/c1-5-17-6-2-15(1)13-21(17)23-19-9-11-20(12-10-19)24(23)22-14-16-3-7-18(22)8-4-16;;;/h15-20H,1-12H2;2*1H3;
InChIKeyNKOKKWUIGRNJEW-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.29
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The IUPAC name of 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (CID 10027573) is 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene.
What is the SMILES notation for 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The canonical SMILES for 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene is C[Sn]1(C)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The InChIKey is NKOKKWUIGRNJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30.2CH3.Sn/c1-5-17-6-2-15(1)13-21(17)23-19-9-11-20(12-10-19)24(23)22-14-16-3-7-18(22)8-4-16;;;/h15-20H,1-12H2;2*1H3;.
What are the key properties of 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene has a molecular weight of 467.29 g/mol, XLogP of 7.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene is sourced from PubChem (CID 10027573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).