tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane

C17H34O4Si — CID 153475020

IUPACtert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane
SMILESC=CCOC[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-11-18-14-15(21-22(6,7)16(2,3)4)9-10-17(5)19-12-13-20-17/h8,15H,1,9-14H2,2-7H3/t15-/m0/s1
InChIKeyHMKTWVAZJUGEOK-HNNXBMFYSA-N
MW330.54 g/mol
LogP4.12
Rot. Bonds9

About tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane (PubChem CID 153475020) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane
PubChem CID153475020
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nametert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane
SMILESC=CCOC[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-11-18-14-15(21-22(6,7)16(2,3)4)9-10-17(5)19-12-13-20-17/h8,15H,1,9-14H2,2-7H3/t15-/m0/s1
InChIKeyHMKTWVAZJUGEOK-HNNXBMFYSA-N
XLogP4.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane (CID 153475020) is tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane is C=CCOC[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane?
The InChIKey is HMKTWVAZJUGEOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-11-18-14-15(21-22(6,7)16(2,3)4)9-10-17(5)19-12-13-20-17/h8,15H,1,9-14H2,2-7H3/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane has a molecular weight of 330.54 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane is sourced from PubChem (CID 153475020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).