[3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

C19H28Si2 — CID 11833948

IUPAC[3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESCC1(C)C=CC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C=C1
InChIInChI=1S/C19H28Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9-10,13-14H,1-8H3
InChIKeyQIHHJFJRNLENDG-UHFFFAOYSA-N
MW312.61 g/mol
LogP5.20
Rot. Bonds

About [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

[3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 11833948) has the molecular formula C19H28Si2 and a molecular weight of 312.61 g/mol. Its IUPAC name is [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
PubChem CID11833948
Molecular FormulaC19H28Si2
Molecular Weight312.61 g/mol
Exact Mass312.17
IUPAC Name[3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESCC1(C)C=CC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C=C1
InChIInChI=1S/C19H28Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9-10,13-14H,1-8H3
InChIKeyQIHHJFJRNLENDG-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 55.20
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

trimethyl-[4-methyl-3-[(E)-2-trimethylsilylethenyl]pent-3-en-1-ynyl]silane
CID 14175474
Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
CID 154721354
Trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
CID 154721469
[3-(4,4-Dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10946975
[3-[4-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 15363836
2-Cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane
CID 10969100
2-Cyclohexa-1,5-dien-1-ylethynyl(trimethyl)silane
CID 173098446
trimethyl-[(4Z)-5-methyl-3-methylidenehepta-4,6-dien-1-ynyl]silane
CID 173466997
trimethyl-[(3E,5Z)-3-methylocta-3,5-dien-1-ynyl]silane
CID 173551754
[(3E,5Z)-3-ethylhepta-3,5-dien-1-ynyl]-trimethylsilane
CID 173553199
Trimethyl-[2-[2-[2-tri(propan-2-yl)silylethynyl]cyclobuta-1,3-dien-1-yl]ethynyl]silane
CID 10917651
Trimethyl-[3-trimethylsilyl-4-(2-trimethylsilylethynyl)-5-(trimethylsilylmethyl)cyclopenta-1,4-dien-1-yl]silane
CID 11200203

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (CID 11833948) is [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is CC1(C)C=CC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C=C1.
What is the InChIKey of [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is QIHHJFJRNLENDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9-10,13-14H,1-8H3.
What are the key properties of [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
[3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 312.61 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 11833948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).