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

C24H30Cl2Si — CID 15964823

IUPAC15,15-dichloro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESCl[Si]1(Cl)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C24H30Cl2Si/c25-27(26)23-17-9-5-15(6-10-17)21(23)19-13-1-2-14(4-3-13)20(19)22-16-7-11-18(12-8-16)24(22)27/h13-18H,1-12H2
InChIKeyJWMNIJKNCLSFIK-UHFFFAOYSA-N
MW417.50 g/mol
LogP7.35
Rot. Bonds

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

15,15-dichloro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (PubChem CID 15964823) has the molecular formula C24H30Cl2Si and a molecular weight of 417.50 g/mol. Its IUPAC name is 15,15-dichloro-15-silaheptacyclo[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-dichloro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
PubChem CID15964823
Molecular FormulaC24H30Cl2Si
Molecular Weight417.50 g/mol
Exact Mass416.15
IUPAC Name15,15-dichloro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESCl[Si]1(Cl)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C24H30Cl2Si/c25-27(26)23-17-9-5-15(6-10-17)21(23)19-13-1-2-14(4-3-13)20(19)22-16-7-11-18(12-8-16)24(22)27/h13-18H,1-12H2
InChIKeyJWMNIJKNCLSFIK-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.50
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15,15-dichloro-15-silaheptacyclo[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-dichloro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (CID 15964823) is 15,15-dichloro-15-silaheptacyclo[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-dichloro-15-silaheptacyclo[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-dichloro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene is Cl[Si]1(Cl)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of 15,15-dichloro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The InChIKey is JWMNIJKNCLSFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2Si/c25-27(26)23-17-9-5-15(6-10-17)21(23)19-13-1-2-14(4-3-13)20(19)22-16-7-11-18(12-8-16)24(22)27/h13-18H,1-12H2.
What are the key properties of 15,15-dichloro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
15,15-dichloro-15-silaheptacyclo[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 417.50 g/mol, XLogP of 7.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dichloro-15-silaheptacyclo[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 15964823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).