tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane

C18H36O2Si — CID 102021073

IUPACtert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane
SMILESC/C=C/C1CC[C@@H]([C@H](CCCC)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O2Si/c1-8-10-12-17(20-21(6,7)18(3,4)5)16-14-13-15(19-16)11-9-2/h9,11,15-17H,8,10,12-14H2,1-7H3/b11-9+/t15?,16-,17-/m0/s1
InChIKeyVUEDRKHSGUPTTJ-FARYUABCSA-N
MW312.57 g/mol
LogP5.69
Rot. Bonds7

About tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane

tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane (PubChem CID 102021073) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane
PubChem CID102021073
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane
SMILESC/C=C/C1CC[C@@H]([C@H](CCCC)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O2Si/c1-8-10-12-17(20-21(6,7)18(3,4)5)16-14-13-15(19-16)11-9-2/h9,11,15-17H,8,10,12-14H2,1-7H3/b11-9+/t15?,16-,17-/m0/s1
InChIKeyVUEDRKHSGUPTTJ-FARYUABCSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.69
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

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[(2S,5R)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
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[(2R,5S)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134862792
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
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tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
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Cbvgbhmdzrxjbz-uhfffaoysa-
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triethyl-[(1E)-5-prop-2-enoxycycloocten-1-yl]oxysilane
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tert-butyl-dimethyl-[(1R,2S)-2-(2-methylprop-2-enoxy)cyclohept-3-en-1-yl]oxysilane
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tert-butyl-dimethyl-[(1S,2S)-2-(2-methylprop-2-enoxy)cyclohept-3-en-1-yl]oxysilane
CID 10685386
tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane (CID 102021073) is tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane is C/C=C/C1CC[C@@H]([C@H](CCCC)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane?
The InChIKey is VUEDRKHSGUPTTJ-FARYUABCSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-10-12-17(20-21(6,7)18(3,4)5)16-14-13-15(19-16)11-9-2/h9,11,15-17H,8,10,12-14H2,1-7H3/b11-9+/t15?,16-,17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane has a molecular weight of 312.57 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane is sourced from PubChem (CID 102021073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).