trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane

C25H42Si — CID 101086265

IUPACtrimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane
SMILESCCCCC#C/C(CCCCCC)=C1\CCCCC1CC#C[Si](C)(C)C
InChIInChI=1S/C25H42Si/c1-6-8-10-12-17-23(18-13-11-9-7-2)25-21-15-14-19-24(25)20-16-22-26(3,4)5/h24H,6-12,14-15,17,19-21H2,1-5H3/b25-23+
InChIKeyJWNSNPZKMLZCRL-WJTDDFOZSA-N
MW370.70 g/mol
LogP7.91
Rot. Bonds8

About trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane

trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane (PubChem CID 101086265) has the molecular formula C25H42Si and a molecular weight of 370.70 g/mol. Its IUPAC name is trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane
PubChem CID101086265
Molecular FormulaC25H42Si
Molecular Weight370.70 g/mol
Exact Mass370.31
IUPAC Nametrimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane
SMILESCCCCC#C/C(CCCCCC)=C1\CCCCC1CC#C[Si](C)(C)C
InChIInChI=1S/C25H42Si/c1-6-8-10-12-17-23(18-13-11-9-7-2)25-21-15-14-19-24(25)20-16-22-26(3,4)5/h24H,6-12,14-15,17,19-21H2,1-5H3/b25-23+
InChIKeyJWNSNPZKMLZCRL-WJTDDFOZSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane
CID 11085963
Tert-butyl-[3-(4-tert-butylcyclohexylidene)hept-1-ynyl]-dimethylsilane
CID 11290962
Tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
CID 135007250
[3-(4,4-Dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10881642
cyclohexyl-dimethyl-[(1R,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 59895391
2-(2,6-Dimethylcyclohexen-1-yl)ethynyl-trimethylsilane
CID 68608975
cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane
CID 90989258
cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 90989259
cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 91510943
Trimethyl-[2-(4-propylcyclohexen-1-yl)ethynyl]silane
CID 123269695
Tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane
CID 140820995
[(Z)-3-(cyclohexylmethyl)undec-3-en-1-ynyl]-trimethylsilane
CID 150454688

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane?
The IUPAC name of trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane (CID 101086265) is trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane is CCCCC#C/C(CCCCCC)=C1\CCCCC1CC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane?
The InChIKey is JWNSNPZKMLZCRL-WJTDDFOZSA-N. The full InChI is InChI=1S/C25H42Si/c1-6-8-10-12-17-23(18-13-11-9-7-2)25-21-15-14-19-24(25)20-16-22-26(3,4)5/h24H,6-12,14-15,17,19-21H2,1-5H3/b25-23+.
What are the key properties of trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane?
trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane has a molecular weight of 370.70 g/mol, XLogP of 7.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane is sourced from PubChem (CID 101086265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).