[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane

C18H35BrO2Si2 — CID 11796351

IUPAC[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC=C(Br)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35BrO2Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19)16(15)21-23(9,10)18(4,5)6/h11-13,15-16H,1-10H3/t15-,16+/m0/s1
InChIKeyAWJJBMMPGVNTAH-JKSUJKDBSA-N
MW419.55 g/mol
LogP6.62
Rot. Bonds4

About [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11796351) has the molecular formula C18H35BrO2Si2 and a molecular weight of 419.55 g/mol. Its IUPAC name is [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11796351
Molecular FormulaC18H35BrO2Si2
Molecular Weight419.55 g/mol
Exact Mass418.14
IUPAC Name[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC=C(Br)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35BrO2Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19)16(15)21-23(9,10)18(4,5)6/h11-13,15-16H,1-10H3/t15-,16+/m0/s1
InChIKeyAWJJBMMPGVNTAH-JKSUJKDBSA-N
XLogP6.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
CID 135020838
tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane
CID 139252511
[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
CID 164668977
[(1R,6R)-3-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11683179
[(1R,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 16105055
tert-butyl-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-2,4-dien-1-yl]oxy-dimethylsilane
CID 16105071
Cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane
CID 70140056
(6-Bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane
CID 151749783
(6-Bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
CID 163676160
tert-butyl-[(3Z,6S,7E,9E,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
CID 169074605
tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
CID 169074609
tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane
CID 11467352

Frequently Asked Questions

What is the IUPAC name of [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane (CID 11796351) is [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C=CC=C(Br)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is AWJJBMMPGVNTAH-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H35BrO2Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19)16(15)21-23(9,10)18(4,5)6/h11-13,15-16H,1-10H3/t15-,16+/m0/s1.
What are the key properties of [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 419.55 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11796351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).