[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane

C27H31BrOSi — CID 15364161

IUPAC[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC(/C=C\Br)CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31BrOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24(21-22-28)20-19-23-13-7-4-8-14-23/h4-18,21-22,24H,19-20H2,1-3H3/b22-21-
InChIKeyBVEYUTZVABTIJJ-DQRAZIAOSA-N
MW479.53 g/mol
LogP6.47
Rot. Bonds8

About [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane

[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 15364161) has the molecular formula C27H31BrOSi and a molecular weight of 479.53 g/mol. Its IUPAC name is [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
PubChem CID15364161
Molecular FormulaC27H31BrOSi
Molecular Weight479.53 g/mol
Exact Mass478.13
IUPAC Name[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC(/C=C\Br)CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31BrOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24(21-22-28)20-19-23-13-7-4-8-14-23/h4-18,21-22,24H,19-20H2,1-3H3/b22-21-
InChIKeyBVEYUTZVABTIJJ-DQRAZIAOSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
CID 50901805
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583
1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
CID 19825362
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
CID 54559685
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
tert-butyl-[(E,3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-4-en-3-yl]oxy-diphenylsilane
CID 56931226
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane (CID 15364161) is [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC(/C=C\Br)CCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is BVEYUTZVABTIJJ-DQRAZIAOSA-N. The full InChI is InChI=1S/C27H31BrOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24(21-22-28)20-19-23-13-7-4-8-14-23/h4-18,21-22,24H,19-20H2,1-3H3/b22-21-.
What are the key properties of [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane?
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 479.53 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 15364161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).