2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane

C16H32Si — CID 86100684

IUPAC2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane
SMILESC=C(C[Si](C)(C)C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32Si/c1-13(12-17(5,6)7)14-8-10-15(11-9-14)16(2,3)4/h14-15H,1,8-12H2,2-7H3
InChIKeyJOTLBYHTSHACGT-UHFFFAOYSA-N
MW252.52 g/mol
LogP5.73
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane

2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane (PubChem CID 86100684) has the molecular formula C16H32Si and a molecular weight of 252.52 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane
PubChem CID86100684
Molecular FormulaC16H32Si
Molecular Weight252.52 g/mol
Exact Mass252.23
IUPAC Name2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane
SMILESC=C(C[Si](C)(C)C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32Si/c1-13(12-17(5,6)7)14-8-10-15(11-9-14)16(2,3)4/h14-15H,1,8-12H2,2-7H3
InChIKeyJOTLBYHTSHACGT-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.52
LogP ≤ 55.73
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'}

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Related Compounds

Trimethyl-[2-(2-methyl-5-prop-1-en-2-ylcyclohexylidene)ethenyl]silane
CID 51349893
Trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane
CID 51349894
1-Tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane
CID 59862011
1-(3-Ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane
CID 90899580
1-Methyl-4-(4-prop-1-en-2-ylheptan-4-yl)cyclohexane
CID 90920836
[3-(3,3-Dimethylbut-1-en-2-yl)-6,6-dimethylheptyl]-trimethylsilane
CID 91087956
(6-Tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane
CID 123326318
1-Tert-butyl-4-(2,3-dimethylbut-3-enyl)cyclohexane
CID 123349329
1-(4,5-Dimethyl-3-prop-1-en-2-yl-3-propylhexyl)-4-methylcyclohexane
CID 123353915
1-(4-Methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane
CID 123400712
Tert-butyl-[2-(2,2-dimethylpropyl)-3,3-dimethylpent-1-enyl]-dimethylsilane
CID 123718187
1,4-Bis(4,4-dimethyl-3-methylidenepentyl)cyclohexane
CID 123906857

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane?
The IUPAC name of 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane (CID 86100684) is 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane is C=C(C[Si](C)(C)C)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane?
The InChIKey is JOTLBYHTSHACGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32Si/c1-13(12-17(5,6)7)14-8-10-15(11-9-14)16(2,3)4/h14-15H,1,8-12H2,2-7H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane?
2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane has a molecular weight of 252.52 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)prop-2-enyl-trimethylsilane is sourced from PubChem (CID 86100684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).