[(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane

C14H27BrOSi — CID 166445431

IUPAC[(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(Br)CCC(=C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrOSi/c1-11(9-10-12(2)15)13(3)16-17(7,8)14(4,5)6/h13H,1-2,9-10H2,3-8H3/t13-/m1/s1
InChIKeyYCRQIHQMGBBLEJ-CYBMUJFWSA-N
MW319.36 g/mol
LogP5.64
Rot. Bonds6

About [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane

[(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 166445431) has the molecular formula C14H27BrOSi and a molecular weight of 319.36 g/mol. Its IUPAC name is [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID166445431
Molecular FormulaC14H27BrOSi
Molecular Weight319.36 g/mol
Exact Mass318.10
IUPAC Name[(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(Br)CCC(=C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrOSi/c1-11(9-10-12(2)15)13(3)16-17(7,8)14(4,5)6/h13H,1-2,9-10H2,3-8H3/t13-/m1/s1
InChIKeyYCRQIHQMGBBLEJ-CYBMUJFWSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(4S)-2-(bromomethyl)hepta-1,6-dien-4-yl]oxy-tert-butyl-dimethylsilane
CID 46934034
(4R)-1,1-Dibromo-4-(tert-butyldimethylsiloxy)-7-methyl-1,7-octadiene
CID 101618234
(2-Bromo-3-methylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 121003722
7-Bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane
CID 11023533
Tert-butyl-dimethyl-(2-methylhept-1-en-3-yloxy)silane
CID 11218734
2-Bromonon-1-en-3-yloxy(trimethyl)silane
CID 11551055
tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane
CID 12965499
(3-Bromocyclohex-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 15695154
4-(Bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane
CID 71561335
[(2-Methylhept-1-en-3-yl)oxy]di(propan-2-yl)silane
CID 78061225
(1S)-3-bromo-2-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 99772044
(5-Bromo-2-methylhex-1-en-3-yl)oxy-tert-butyl-dimethylsilane
CID 101011304

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 166445431) is [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane is C=C(Br)CCC(=C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YCRQIHQMGBBLEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27BrOSi/c1-11(9-10-12(2)15)13(3)16-17(7,8)14(4,5)6/h13H,1-2,9-10H2,3-8H3/t13-/m1/s1.
What are the key properties of [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane?
[(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 319.36 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-bromo-3-methylidenehept-6-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 166445431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).