4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane

C16H28Si — CID 14563320

IUPAC4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane
SMILESC=C1CCCC(C)(C)C1CCC#C[Si](C)(C)C
InChIInChI=1S/C16H28Si/c1-14-10-9-12-16(2,3)15(14)11-7-8-13-17(4,5)6/h15H,1,7,9-12H2,2-6H3
InChIKeySASFUVXYLIPOIO-UHFFFAOYSA-N
MW248.49 g/mol
LogP5.03
Rot. Bonds2

About 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane

4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane (PubChem CID 14563320) has the molecular formula C16H28Si and a molecular weight of 248.49 g/mol. Its IUPAC name is 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane
PubChem CID14563320
Molecular FormulaC16H28Si
Molecular Weight248.49 g/mol
Exact Mass248.20
IUPAC Name4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane
SMILESC=C1CCCC(C)(C)C1CCC#C[Si](C)(C)C
InChIInChI=1S/C16H28Si/c1-14-10-9-12-16(2,3)15(14)11-7-8-13-17(4,5)6/h15H,1,7,9-12H2,2-6H3
InChIKeySASFUVXYLIPOIO-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.49
LogP ≤ 55.03
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

Tert-butyl-[3-(4-tert-butylcyclohexylidene)hept-1-ynyl]-dimethylsilane
CID 11290962
2-(4-Tert-butylcyclohexyl)prop-2-enyl-trimethylsilane
CID 86100684
Tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
CID 135007250
(2R)-2-but-1-ynyl-1,1-dimethyl-3-methylidenecyclohexane
CID 139775017
[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane
CID 139775018
2-But-1-ynyl-1,1-dimethyl-3-methylidenecyclohexane
CID 139776701
2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane
CID 140681351
3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane
CID 44520657
5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane
CID 44520658
(4-Tert-butylcyclohexylidene)methyl-trimethylsilane
CID 101921209
(4-Cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane
CID 102235452

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane?
The IUPAC name of 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane (CID 14563320) is 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane.
What is the SMILES notation for 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane?
The canonical SMILES for 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane is C=C1CCCC(C)(C)C1CCC#C[Si](C)(C)C.
What is the InChIKey of 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane?
The InChIKey is SASFUVXYLIPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Si/c1-14-10-9-12-16(2,3)15(14)11-7-8-13-17(4,5)6/h15H,1,7,9-12H2,2-6H3.
What are the key properties of 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane?
4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane has a molecular weight of 248.49 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane is sourced from PubChem (CID 14563320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).