tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane

C18H30O2Si — CID 73333549

IUPACtert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
SMILESC=C[C@@H](OCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-8-17(19-14-16-12-10-9-11-13-16)15(2)20-21(6,7)18(3,4)5/h8-13,15,17H,1,14H2,2-7H3/t15-,17+/m0/s1
InChIKeyJOTKKFSWLVZAGR-DOTOQJQBSA-N
MW306.52 g/mol
LogP5.17
Rot. Bonds7

About tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane

tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane (PubChem CID 73333549) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
PubChem CID73333549
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Nametert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
SMILESC=C[C@@H](OCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-8-17(19-14-16-12-10-9-11-13-16)15(2)20-21(6,7)18(3,4)5/h8-13,15,17H,1,14H2,2-7H3/t15-,17+/m0/s1
InChIKeyJOTKKFSWLVZAGR-DOTOQJQBSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate
CID 25128686
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
methyl (2Z,4S,5S,6E,8S,9S)-5,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxydeca-2,6-dienoate
CID 66572585
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-phenylmethoxyundec-10-en-6-yn-5-ol
CID 134841088
(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane (CID 73333549) is tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane is C=C[C@@H](OCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane?
The InChIKey is JOTKKFSWLVZAGR-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-8-17(19-14-16-12-10-9-11-13-16)15(2)20-21(6,7)18(3,4)5/h8-13,15,17H,1,14H2,2-7H3/t15-,17+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane has a molecular weight of 306.52 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane is sourced from PubChem (CID 73333549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).