[3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane

C23H44Si3 — CID 71398651

IUPAC[3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C=C([Si](C)(C)C)CCCCC([Si](C)(C)C)C#CCCCC1
InChIInChI=1S/C23H44Si3/c1-24(2,3)21-16-12-10-11-13-18-22(25(4,5)6)20-23(26(7,8)9)19-15-14-17-21/h21H,10-11,13-15,17-19H2,1-9H3
InChIKeyJHUKTXPDTXJAED-UHFFFAOYSA-N
MW404.86 g/mol
LogP8.04
Rot. Bonds3

About [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane

[3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane (PubChem CID 71398651) has the molecular formula C23H44Si3 and a molecular weight of 404.86 g/mol. Its IUPAC name is [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane
PubChem CID71398651
Molecular FormulaC23H44Si3
Molecular Weight404.86 g/mol
Exact Mass404.28
IUPAC Name[3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C=C([Si](C)(C)C)CCCCC([Si](C)(C)C)C#CCCCC1
InChIInChI=1S/C23H44Si3/c1-24(2,3)21-16-12-10-11-13-18-22(25(4,5)6)20-23(26(7,8)9)19-15-14-17-21/h21H,10-11,13-15,17-19H2,1-9H3
InChIKeyJHUKTXPDTXJAED-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 58.04
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'}

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Frequently Asked Questions

What is the IUPAC name of [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane?
The IUPAC name of [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane (CID 71398651) is [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane.
What is the SMILES notation for [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane?
The canonical SMILES for [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane is C[Si](C)(C)C1=C=C([Si](C)(C)C)CCCCC([Si](C)(C)C)C#CCCCC1.
What is the InChIKey of [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane?
The InChIKey is JHUKTXPDTXJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44Si3/c1-24(2,3)21-16-12-10-11-13-18-22(25(4,5)6)20-23(26(7,8)9)19-15-14-17-21/h21H,10-11,13-15,17-19H2,1-9H3.
What are the key properties of [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane?
[3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane has a molecular weight of 404.86 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,8-bis(trimethylsilyl)cyclotetradeca-1,2-dien-9-yn-1-yl]-trimethylsilane is sourced from PubChem (CID 71398651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).