(13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane

C38H42Si2 — CID 12061715

IUPAC(13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)=C=C=C=C=c1cc(C(C)(C)C)ccc1=C=C=C1C(=C=C=2)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C38H42Si2/c1-37(2,3)31-21-17-27-19-23-33-34(36(40(10,11)12)35(33)39(7,8)9)24-20-28-18-22-32(38(4,5)6)26-30(28)16-14-13-15-29(27)25-31/h17-18,21-22,25-26H,1-12H3
InChIKeyIUUSKBXZQFAOQI-UHFFFAOYSA-N
MW554.93 g/mol
LogP6.61
Rot. Bonds2

About (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane

(13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane (PubChem CID 12061715) has the molecular formula C38H42Si2 and a molecular weight of 554.93 g/mol. Its IUPAC name is (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane.

Molecular Properties

Compound Name(13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane
PubChem CID12061715
Molecular FormulaC38H42Si2
Molecular Weight554.93 g/mol
Exact Mass554.28
IUPAC Name(13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)=C=C=C=C=c1cc(C(C)(C)C)ccc1=C=C=C1C(=C=C=2)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C38H42Si2/c1-37(2,3)31-21-17-27-19-23-33-34(36(40(10,11)12)35(33)39(7,8)9)24-20-28-18-22-32(38(4,5)6)26-30(28)16-14-13-15-29(27)25-31/h17-18,21-22,25-26H,1-12H3
InChIKeyIUUSKBXZQFAOQI-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.93
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane?
The IUPAC name of (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane (CID 12061715) is (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane.
What is the SMILES notation for (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane?
The canonical SMILES for (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane is CC(C)(C)c1ccc2c(c1)=C=C=C=C=c1cc(C(C)(C)C)ccc1=C=C=C1C(=C=C=2)C([Si](C)(C)C)=C1[Si](C)(C)C.
What is the InChIKey of (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane?
The InChIKey is IUUSKBXZQFAOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Si2/c1-37(2,3)31-21-17-27-19-23-33-34(36(40(10,11)12)35(33)39(7,8)9)24-20-28-18-22-32(38(4,5)6)26-30(28)16-14-13-15-29(27)25-31/h17-18,21-22,25-26H,1-12H3.
What are the key properties of (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane?
(13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane has a molecular weight of 554.93 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (13,22-ditert-butyl-6-trimethylsilyl-5-tetracyclo[18.4.0.04,7.010,15]tetracosa-1,2,3,5,7,8,9,11,13,15,16,17,18,19,21,23-hexadecaenyl)-trimethylsilane is sourced from PubChem (CID 12061715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).