chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane

C13H19ClOSi — CID 11379820

IUPACchloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane
SMILESC=C[C@@H](C)[C@H](O[Si](C)(C)Cl)c1ccccc1
InChIInChI=1S/C13H19ClOSi/c1-5-11(2)13(15-16(3,4)14)12-9-7-6-8-10-12/h5-11,13H,1H2,2-4H3/t11-,13+/m1/s1
InChIKeyDYMWDUBJUBMJNB-YPMHNXCESA-N
MW254.83 g/mol
LogP4.51
Rot. Bonds5

About chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane

chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane (PubChem CID 11379820) has the molecular formula C13H19ClOSi and a molecular weight of 254.83 g/mol. Its IUPAC name is chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane.

Molecular Properties

Compound Namechloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane
PubChem CID11379820
Molecular FormulaC13H19ClOSi
Molecular Weight254.83 g/mol
Exact Mass254.09
IUPAC Namechloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane
SMILESC=C[C@@H](C)[C@H](O[Si](C)(C)Cl)c1ccccc1
InChIInChI=1S/C13H19ClOSi/c1-5-11(2)13(15-16(3,4)14)12-9-7-6-8-10-12/h5-11,13H,1H2,2-4H3/t11-,13+/m1/s1
InChIKeyDYMWDUBJUBMJNB-YPMHNXCESA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.83
LogP ≤ 54.51
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

chloro-dimethyl-(1-phenylprop-2-enyl)silane
CID 21185613
trimethyl(1-phenylethoxy)silane
CID 519015
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
(1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
CID 10849171
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
1-chloroprop-2-enylbenzene
CID 11768772
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine
CID 134994662
methyl-[(1S,2S)-2-[methyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 102172480
1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene
CID 164669353
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane?
The IUPAC name of chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane (CID 11379820) is chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane.
What is the SMILES notation for chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane?
The canonical SMILES for chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane is C=C[C@@H](C)[C@H](O[Si](C)(C)Cl)c1ccccc1.
What is the InChIKey of chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane?
The InChIKey is DYMWDUBJUBMJNB-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19ClOSi/c1-5-11(2)13(15-16(3,4)14)12-9-7-6-8-10-12/h5-11,13H,1H2,2-4H3/t11-,13+/m1/s1.
What are the key properties of chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane?
chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane has a molecular weight of 254.83 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane is sourced from PubChem (CID 11379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).