[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane

C16H28Si — CID 139775018

IUPAC[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane
SMILESC=C1CCCC(C)(C)[C@H]1C#C[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C16H28Si/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17(5,6)7/h14-15H,1,8-9,12H2,2-7H3/t14-,15+/m1/s1
InChIKeyGTQJBOKOLPCXKU-CABCVRRESA-N
MW248.49 g/mol
LogP5.10
Rot. Bonds1

About [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane

[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane (PubChem CID 139775018) has the molecular formula C16H28Si and a molecular weight of 248.49 g/mol. Its IUPAC name is [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane
PubChem CID139775018
Molecular FormulaC16H28Si
Molecular Weight248.49 g/mol
Exact Mass248.20
IUPAC Name[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane
SMILESC=C1CCCC(C)(C)[C@H]1C#C[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C16H28Si/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17(5,6)7/h14-15H,1,8-9,12H2,2-7H3/t14-,15+/m1/s1
InChIKeyGTQJBOKOLPCXKU-CABCVRRESA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.49
LogP ≤ 55.10
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
2-But-1-ynyl-1,1-dimethyl-3-methylidenecyclohexane
CID 139776701
2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane
CID 140681351
4-(2,2-Dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane
CID 14563320
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 [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane?
The IUPAC name of [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane (CID 139775018) is [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane.
What is the SMILES notation for [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane?
The canonical SMILES for [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane is C=C1CCCC(C)(C)[C@H]1C#C[C@@H](C)[Si](C)(C)C.
What is the InChIKey of [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane?
The InChIKey is GTQJBOKOLPCXKU-CABCVRRESA-N. The full InChI is InChI=1S/C16H28Si/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17(5,6)7/h14-15H,1,8-9,12H2,2-7H3/t14-,15+/m1/s1.
What are the key properties of [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane?
[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane has a molecular weight of 248.49 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane is sourced from PubChem (CID 139775018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).