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

C18H36O2Si — CID 12982555

IUPACtert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane
SMILESC=CCC1CC[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/h9,15-17H,2,8,10-14H2,1,3-7H3/t15?,16-,17-/m0/s1
InChIKeyXTHMLYNHJGKVNY-BSOSBYQFSA-N
MW312.57 g/mol
LogP5.69
Rot. Bonds8

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

tert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane (PubChem CID 12982555) 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-prop-2-enyloxolan-2-yl]pentoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane
PubChem CID12982555
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane
SMILESC=CCC1CC[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/h9,15-17H,2,8,10-14H2,1,3-7H3/t15?,16-,17-/m0/s1
InChIKeyXTHMLYNHJGKVNY-BSOSBYQFSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane (CID 12982555) is tert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane is C=CCC1CC[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-prop-2-enyloxolan-2-yl]pentoxy]silane?
The InChIKey is XTHMLYNHJGKVNY-BSOSBYQFSA-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/h9,15-17H,2,8,10-14H2,1,3-7H3/t15?,16-,17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(2S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane has a molecular weight of 312.57 g/mol, XLogP of 5.69, 8 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-prop-2-enyloxolan-2-yl]pentoxy]silane is sourced from PubChem (CID 12982555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).