tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane

C17H32O3Si — CID 11324429

IUPACtert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C17H32O3Si/c1-7-14(20-21(5,6)16(2,3)4)15-13-18-17(19-15)11-9-8-10-12-17/h7,14-15H,1,8-13H2,2-6H3/t14-,15-/m1/s1
InChIKeyQHTFPOSRZMZOQJ-HUUCEWRRSA-N
MW312.53 g/mol
LogP4.64
Rot. Bonds4

About tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 11324429) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane
PubChem CID11324429
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C17H32O3Si/c1-7-14(20-21(5,6)16(2,3)4)15-13-18-17(19-15)11-9-8-10-12-17/h7,14-15H,1,8-13H2,2-6H3/t14-,15-/m1/s1
InChIKeyQHTFPOSRZMZOQJ-HUUCEWRRSA-N
XLogP4.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane (CID 11324429) is tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane?
The InChIKey is QHTFPOSRZMZOQJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-14(20-21(5,6)16(2,3)4)15-13-18-17(19-15)11-9-8-10-12-17/h7,14-15H,1,8-13H2,2-6H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane?
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11324429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).