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

C26H36O2Si — CID 15964826

IUPAC15,15-dimethoxy-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESCO[Si]1(OC)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C26H36O2Si/c1-27-29(28-2)25-19-11-7-17(8-12-19)23(25)21-15-3-4-16(6-5-15)22(21)24-18-9-13-20(14-10-18)26(24)29/h15-20H,3-14H2,1-2H3
InChIKeyZUOKKFIOHFCKLI-UHFFFAOYSA-N
MW408.66 g/mol
LogP6.16
Rot. Bonds2

About 15,15-dimethoxy-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-dimethoxy-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 15964826) has the molecular formula C26H36O2Si and a molecular weight of 408.66 g/mol. Its IUPAC name is 15,15-dimethoxy-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-dimethoxy-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
PubChem CID15964826
Molecular FormulaC26H36O2Si
Molecular Weight408.66 g/mol
Exact Mass408.25
IUPAC Name15,15-dimethoxy-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESCO[Si]1(OC)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C26H36O2Si/c1-27-29(28-2)25-19-11-7-17(8-12-19)23(25)21-15-3-4-16(6-5-15)22(21)24-18-9-13-20(14-10-18)26(24)29/h15-20H,3-14H2,1-2H3
InChIKeyZUOKKFIOHFCKLI-UHFFFAOYSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15,15-dimethoxy-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-dimethoxy-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (CID 15964826) is 15,15-dimethoxy-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-dimethoxy-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-dimethoxy-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene is CO[Si]1(OC)C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of 15,15-dimethoxy-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 ZUOKKFIOHFCKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2Si/c1-27-29(28-2)25-19-11-7-17(8-12-19)23(25)21-15-3-4-16(6-5-15)22(21)24-18-9-13-20(14-10-18)26(24)29/h15-20H,3-14H2,1-2H3.
What are the key properties of 15,15-dimethoxy-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-dimethoxy-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 408.66 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethoxy-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 15964826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).