[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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Related Compounds

Hexadeca-6,7-dien-1-ynyl(trimethyl)silane
CID 11109061
Trimethyl(pentadeca-6,7-dien-1-ynyl)silane
CID 11780808
Triethyl(6-trimethylsilylocta-6,7-dien-1-ynyl)silane
CID 164686292
3-Methylideneoct-1-ynyl-tri(propan-2-yl)silane
CID 102322019
[3-Hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
CID 12027353
(Cyclotetradeca-1,2,8,9-tetraene-1,3,8,10-tetrayl)tetrakis(trimethylsilane)
CID 71396694
(Cyclotetradeca-1,2-dien-8-yne-1,3-diyl)bis(trimethylsilane)
CID 71398652
Trimethyl{4-[(trimethylsilyl)methylidene]dec-1-yn-1-yl}silane
CID 71415264
3,5-Dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane
CID 86216613
tert-butyl-dimethyl-[(Z)-2-(3-trimethylsilylprop-2-ynyl)oct-1-enyl]silane
CID 92034767
[5-Butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
CID 101212828
trimethyl-[(4E)-4-(trimethylsilylmethylidene)dec-1-ynyl]silane
CID 101270069

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).