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

C30H40Si — CID 10094115

IUPAC2-(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
SMILESC[Si](C)(C)C#CC1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C30H40Si/c1-31(2,3)17-16-24-25-18-4-8-20(9-5-18)27(25)29-22-12-14-23(15-13-22)30(29)28-21-10-6-19(7-11-21)26(24)28/h18-24H,4-15H2,1-3H3
InChIKeyOZDLZEAHRUCMNM-UHFFFAOYSA-N
MW428.74 g/mol
LogP7.85
Rot. Bonds

About 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

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 (PubChem CID 10094115) has the molecular formula C30H40Si and a molecular weight of 428.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID10094115
Molecular FormulaC30H40Si
Molecular Weight428.74 g/mol
Exact Mass428.29
IUPAC Name2-(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
SMILESC[Si](C)(C)C#CC1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C30H40Si/c1-31(2,3)17-16-24-25-18-4-8-20(9-5-18)27(25)29-22-12-14-23(15-13-22)30(29)28-21-10-6-19(7-11-21)26(24)28/h18-24H,4-15H2,1-3H3
InChIKeyOZDLZEAHRUCMNM-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

15,15-Difluoro-15-silaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
CID 15964824
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
15-Ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
CID 10473494
[3-(2-Adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10688552
Trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
CID 10695054
(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
CID 11394375
CID 11394375
CID 15964822
CID 15964822
CID 15964825
CID 15964825
9,9-Dimethyl-9-silapentacyclo[9.2.2.24,7.02,10.03,8]heptadeca-2(10),3(8)-diene
CID 102573860

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)C#CC1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of 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?
The InChIKey is OZDLZEAHRUCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40Si/c1-31(2,3)17-16-24-25-18-4-8-20(9-5-18)27(25)29-22-12-14-23(15-13-22)30(29)28-21-10-6-19(7-11-21)26(24)28/h18-24H,4-15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 428.74 g/mol, XLogP of 7.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10094115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).