[(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane

C17H35BrO3Si — CID 102245911

IUPAC[(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCOCOCC1C(Br)[C@H](O[Si](C)(C)C(C)(C)C)CCC1(C)C
InChIInChI=1S/C17H35BrO3Si/c1-16(2,3)22(7,8)21-14-9-10-17(4,5)13(15(14)18)11-20-12-19-6/h13-15H,9-12H2,1-8H3/t13?,14-,15?/m1/s1
InChIKeyJKDDKSDMSUXXQT-SHARSMKWSA-N
MW395.45 g/mol
LogP5.20
Rot. Bonds6

About [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane

[(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 102245911) has the molecular formula C17H35BrO3Si and a molecular weight of 395.45 g/mol. Its IUPAC name is [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID102245911
Molecular FormulaC17H35BrO3Si
Molecular Weight395.45 g/mol
Exact Mass394.15
IUPAC Name[(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCOCOCC1C(Br)[C@H](O[Si](C)(C)C(C)(C)C)CCC1(C)C
InChIInChI=1S/C17H35BrO3Si/c1-16(2,3)22(7,8)21-14-9-10-17(4,5)13(15(14)18)11-20-12-19-6/h13-15H,9-12H2,1-8H3/t13?,14-,15?/m1/s1
InChIKeyJKDDKSDMSUXXQT-SHARSMKWSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

2-[(7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-7-yl]-3-(methoxymethoxy)-2-(methoxymethoxymethyl)propan-1-amine
CID 11784518
(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxymethyl)-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 102482533
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
tert-butyl-[[(1S,2R,5R)-7-(methoxymethoxy)-6,6-dimethyl-2-tricyclo[3.3.3.01,5]undecanyl]oxy]-dimethylsilane
CID 162786768
(3aR,4R,5S,7S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol
CID 10882987
(3aR,4S,5S,7S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol
CID 11089770
2-[(1R,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxymethyl)-3,4-dimethyl-2-oxo-1-prop-2-enylcyclohexyl]acetaldehyde
CID 101441308
[(1S,2'R,3aR,4S,7aS)-2'-[(E)-4-(methoxymethoxy)-4-methylpent-1-enyl]-7a-methylspiro[3,3a,4,5,6,7-hexahydro-2H-indene-1,1'-cyclopropane]-4-yl]oxy-tert-butyl-dimethylsilane
CID 16743479
tert-butyl-[[7-[4-(methoxymethoxy)but-1-en-2-yl]-5-methyl-8-oxatricyclo[3.3.1.02,7]nonan-1-yl]oxy]-dimethylsilane
CID 117070200
(4aR,5R,6S,8S)-8-bromo-6-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 10905169

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane (CID 102245911) is [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane is COCOCC1C(Br)[C@H](O[Si](C)(C)C(C)(C)C)CCC1(C)C.
What is the InChIKey of [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JKDDKSDMSUXXQT-SHARSMKWSA-N. The full InChI is InChI=1S/C17H35BrO3Si/c1-16(2,3)22(7,8)21-14-9-10-17(4,5)13(15(14)18)11-20-12-19-6/h13-15H,9-12H2,1-8H3/t13?,14-,15?/m1/s1.
What are the key properties of [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane?
[(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 395.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-bromo-3-(methoxymethoxymethyl)-4,4-dimethylcyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102245911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).