[3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

C19H30Si2 — CID 10946975

IUPAC[3-(4,4-dimethylcyclohex-2-en-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)CC1
InChIInChI=1S/C19H30Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9,13H,10,14H2,1-8H3
InChIKeyWPTXJTAYTHBFSR-UHFFFAOYSA-N
MW314.62 g/mol
LogP5.42
Rot. Bonds

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

[3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 10946975) has the molecular formula C19H30Si2 and a molecular weight of 314.62 g/mol. Its IUPAC name is [3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
PubChem CID10946975
Molecular FormulaC19H30Si2
Molecular Weight314.62 g/mol
Exact Mass314.19
IUPAC Name[3-(4,4-dimethylcyclohex-2-en-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)CC1
InChIInChI=1S/C19H30Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9,13H,10,14H2,1-8H3
InChIKeyWPTXJTAYTHBFSR-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.62
LogP ≤ 55.42
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

[3-(4,4-Dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 11833948
1-t-Butyl-5-trimethylsilyl-1,3-cyclohexadiene
CID 14984258
(2,6-Diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane
CID 173168074
2-[4-[(4-Tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]-3,5-bis(2-trimethylsilylethynyl)cyclohexa-2,5-dien-1-yl]ethynyl-trimethylsilane
CID 11272665
trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane
CID 11390951
[3-[4-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohex-2-en-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 21604710
2-(2,6-Ditert-butylcyclohepta-2,4,6-trien-1-yl)ethynyl-trimethylsilane
CID 46849823
2-(2,5-Ditert-butylcyclohepta-2,4,6-trien-1-yl)ethynyl-trimethylsilane
CID 46849824
1,3,3-Trimethyl-2-[(1E,3E)-3-methyl-6-(trimethylsilyl)-1,3-hexadien-5-yn-1-yl]-cyclohexene
CID 71752832
Trimethyl-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane
CID 92042510
2-[4-[(4-Tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]-3,5-bis(2-trimethylsilylethynyl)cyclohexa-2,5-dien-1-yl]ethynyl-trimethylsilane
CID 101183687
trimethyl-[(E)-6-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)hex-3-en-1,5-diynyl]silane
CID 101342555

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (CID 10946975) is [3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-(4,4-dimethylcyclohex-2-en-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)CC1.
What is the InChIKey of [3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is WPTXJTAYTHBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9,13H,10,14H2,1-8H3.
What are the key properties of [3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
[3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 314.62 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethylcyclohex-2-en-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 10946975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).