tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane

C18H34O3Si — CID 11198186

IUPACtert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane
SMILESC/C=C/[C@@H]1OC2(CCCCC2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-7-11-15-16(14-19-22(5,6)17(2,3)4)21-18(20-15)12-9-8-10-13-18/h7,11,15-16H,8-10,12-14H2,1-6H3/b11-7+/t15-,16+/m0/s1
InChIKeyNVQQIDRFFXMKQW-YWUZZIELSA-N
MW326.55 g/mol
LogP5.03
Rot. Bonds4

About tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane (PubChem CID 11198186) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane
PubChem CID11198186
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nametert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane
SMILESC/C=C/[C@@H]1OC2(CCCCC2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-7-11-15-16(14-19-22(5,6)17(2,3)4)21-18(20-15)12-9-8-10-13-18/h7,11,15-16H,8-10,12-14H2,1-6H3/b11-7+/t15-,16+/m0/s1
InChIKeyNVQQIDRFFXMKQW-YWUZZIELSA-N
XLogP5.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.03
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-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane (CID 11198186) is tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane is C/C=C/[C@@H]1OC2(CCCCC2)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The InChIKey is NVQQIDRFFXMKQW-YWUZZIELSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-7-11-15-16(14-19-22(5,6)17(2,3)4)21-18(20-15)12-9-8-10-13-18/h7,11,15-16H,8-10,12-14H2,1-6H3/b11-7+/t15-,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane has a molecular weight of 326.55 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane is sourced from PubChem (CID 11198186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).