trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane

C16H22Si — CID 11085963

IUPACtrimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane
SMILESC=C(C)[C@@H]1CC=C(C#CC#C[Si](C)(C)C)CC1
InChIInChI=1S/C16H22Si/c1-14(2)16-11-9-15(10-12-16)8-6-7-13-17(3,4)5/h9,16H,1,10-12H2,2-5H3/t16-/m1/s1
InChIKeyIOIDJDFUUTUCKD-MRXNPFEDSA-N
MW242.44 g/mol
LogP4.17
Rot. Bonds1

About trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane

trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane (PubChem CID 11085963) has the molecular formula C16H22Si and a molecular weight of 242.44 g/mol. Its IUPAC name is trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane
PubChem CID11085963
Molecular FormulaC16H22Si
Molecular Weight242.44 g/mol
Exact Mass242.15
IUPAC Nametrimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane
SMILESC=C(C)[C@@H]1CC=C(C#CC#C[Si](C)(C)C)CC1
InChIInChI=1S/C16H22Si/c1-14(2)16-11-9-15(10-12-16)8-6-7-13-17(3,4)5/h9,16H,1,10-12H2,2-5H3/t16-/m1/s1
InChIKeyIOIDJDFUUTUCKD-MRXNPFEDSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-Cyclohexen-1-ylethynyl)trimethylsilane
CID 11816203
2-(Cyclohexen-1-yl)ethynyl-triethyl-silane
CID 134948291
2-(4-Tert-butylcyclohexen-1-yl)ethynyl-trimethylsilane
CID 10823617
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
CID 54222867
CID 54222867
Trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane
CID 171649975
[(4R)-4,8-dimethylnon-7-en-1-ynyl]-trimethylsilane
CID 11390445
[(Z)-4-cyclohexylbut-3-en-1-ynyl]-trimethylsilane
CID 12750868
[(Z)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-trimethylsilane
CID 15040722
[(Z)-3-cyclohexyl-2-methylprop-2-enyl]-trimethylsilane
CID 21726122
1-Trimethylsilylmethyl-4-methylcyclohexene
CID 23264754
trimethyl-[2-[[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]methyl]cyclopropen-1-yl]silane
CID 71489379

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane?
The IUPAC name of trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane (CID 11085963) is trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane.
What is the SMILES notation for trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane?
The canonical SMILES for trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane is C=C(C)[C@@H]1CC=C(C#CC#C[Si](C)(C)C)CC1.
What is the InChIKey of trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane?
The InChIKey is IOIDJDFUUTUCKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22Si/c1-14(2)16-11-9-15(10-12-16)8-6-7-13-17(3,4)5/h9,16H,1,10-12H2,2-5H3/t16-/m1/s1.
What are the key properties of trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane?
trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane has a molecular weight of 242.44 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane is sourced from PubChem (CID 11085963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).