tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane

C12H25ClOSi — CID 11644482

IUPACtert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane
SMILESC/C(Cl)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25ClOSi/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h8,10H,9H2,1-7H3/b11-8-/t10-/m0/s1
InChIKeyUCRWFTNRFHRIHA-DFYQSJSGSA-N
MW248.87 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane

tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane (PubChem CID 11644482) has the molecular formula C12H25ClOSi and a molecular weight of 248.87 g/mol. Its IUPAC name is tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane
PubChem CID11644482
Molecular FormulaC12H25ClOSi
Molecular Weight248.87 g/mol
Exact Mass248.14
IUPAC Nametert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane
SMILESC/C(Cl)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25ClOSi/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h8,10H,9H2,1-7H3/b11-8-/t10-/m0/s1
InChIKeyUCRWFTNRFHRIHA-DFYQSJSGSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.87
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane (CID 11644482) is tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane is C/C(Cl)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane?
The InChIKey is UCRWFTNRFHRIHA-DFYQSJSGSA-N. The full InChI is InChI=1S/C12H25ClOSi/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h8,10H,9H2,1-7H3/b11-8-/t10-/m0/s1.
What are the key properties of tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane?
tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane has a molecular weight of 248.87 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2S)-4-chloro-2-methylpent-3-enoxy]-dimethylsilane is sourced from PubChem (CID 11644482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).