[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane

C15H31BrSi — CID 106324159

IUPAC[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane
SMILESCC(C)(C)C1CCC(CBr)(C[Si](C)(C)C)CC1
InChIInChI=1S/C15H31BrSi/c1-14(2,3)13-7-9-15(11-16,10-8-13)12-17(4,5)6/h13H,7-12H2,1-6H3
InChIKeyKVHMJPKPEJWXGD-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.94
Rot. Bonds3

About [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane

[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane (PubChem CID 106324159) has the molecular formula C15H31BrSi and a molecular weight of 319.40 g/mol. Its IUPAC name is [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane.

Molecular Properties

Compound Name[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane
PubChem CID106324159
Molecular FormulaC15H31BrSi
Molecular Weight319.40 g/mol
Exact Mass318.14
IUPAC Name[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane
SMILESCC(C)(C)C1CCC(CBr)(C[Si](C)(C)C)CC1
InChIInChI=1S/C15H31BrSi/c1-14(2,3)13-7-9-15(11-16,10-8-13)12-17(4,5)6/h13H,7-12H2,1-6H3
InChIKeyKVHMJPKPEJWXGD-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methanamine
CID 106323361
N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 106323491
1-(bromomethyl)-4-tert-butyl-1-hexylcyclohexane
CID 66048481
2-bromo-5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]thiophene
CID 66048702
1-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-4-fluorobenzene
CID 66050671
5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-1,3-dimethylpyrazole
CID 66048706
1-(bromomethyl)-4-tert-butyl-1-cyclobutyloxycyclohexane
CID 63474775
(1S,2R,4S)-1,2-dibromo-1-(bromomethyl)-4-tert-butylcyclohexane
CID 101064308
1-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-2-chlorobenzene
CID 66048707
5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-1-ethyl-3-methylpyrazole
CID 66049569
5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-1-ethyl-1,2,4-triazole
CID 66050890
1-(bromomethyl)-4-tert-butyl-1-(2-methoxyethoxy)cyclohexane
CID 55036265

Frequently Asked Questions

What is the IUPAC name of [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane?
The IUPAC name of [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane (CID 106324159) is [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane.
What is the SMILES notation for [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane?
The canonical SMILES for [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane is CC(C)(C)C1CCC(CBr)(C[Si](C)(C)C)CC1.
What is the InChIKey of [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane?
The InChIKey is KVHMJPKPEJWXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrSi/c1-14(2,3)13-7-9-15(11-16,10-8-13)12-17(4,5)6/h13H,7-12H2,1-6H3.
What are the key properties of [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane?
[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane has a molecular weight of 319.40 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane is sourced from PubChem (CID 106324159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).