(15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate

C25H33ClO4Si — CID 11213360

IUPAC(15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate
SMILESC[Si]1(O[Cl+3]([O-])([O-])[O-])C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C25H33ClO4Si/c1-31(30-26(27,28)29)24-18-10-6-16(7-11-18)22(24)20-14-2-3-15(5-4-14)21(20)23-17-8-12-19(13-9-17)25(23)31/h14-19H,2-13H2,1H3
InChIKeyFYMXSWJZXDQZMJ-UHFFFAOYSA-N
MW461.07 g/mol
LogP2.92
Rot. Bonds2

About (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate

(15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate (PubChem CID 11213360) has the molecular formula C25H33ClO4Si and a molecular weight of 461.07 g/mol. Its IUPAC name is (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate.

Molecular Properties

Compound Name(15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate
PubChem CID11213360
Molecular FormulaC25H33ClO4Si
Molecular Weight461.07 g/mol
Exact Mass460.18
IUPAC Name(15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate
SMILESC[Si]1(O[Cl+3]([O-])([O-])[O-])C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C25H33ClO4Si/c1-31(30-26(27,28)29)24-18-10-6-16(7-11-18)22(24)20-14-2-3-15(5-4-14)21(20)23-17-8-12-19(13-9-17)25(23)31/h14-19H,2-13H2,1H3
InChIKeyFYMXSWJZXDQZMJ-UHFFFAOYSA-N
XLogP2.92
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.07
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate with MolForge

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Related Compounds

2-(15-Heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trienyl)ethynyl-trimethylsilane
CID 10094115
15,15-Dimethyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
CID 10362201
CID 11394375
CID 11394375
CID 15964822
CID 15964822
CID 15964825
CID 15964825
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

Frequently Asked Questions

What is the IUPAC name of (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate?
The IUPAC name of (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate (CID 11213360) is (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate.
What is the SMILES notation for (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate?
The canonical SMILES for (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate is C[Si]1(O[Cl+3]([O-])([O-])[O-])C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate?
The InChIKey is FYMXSWJZXDQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClO4Si/c1-31(30-26(27,28)29)24-18-10-6-16(7-11-18)22(24)20-14-2-3-15(5-4-14)21(20)23-17-8-12-19(13-9-17)25(23)31/h14-19H,2-13H2,1H3.
What are the key properties of (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate?
(15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate has a molecular weight of 461.07 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15-methyl-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trien-15-yl) perchlorate is sourced from PubChem (CID 11213360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).