tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane

C20H38O3Si — CID 18605962

IUPACtert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane
SMILESC=CC[C@@H]1CC[C@H](OC2CCCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-7-10-16-12-13-18(23-19-11-8-9-14-21-19)17(16)15-22-24(5,6)20(2,3)4/h7,16-19H,1,8-15H2,2-6H3/t16-,17+,18+,19?/m1/s1
InChIKeyAUCUQGANUWBPQZ-CJPNDHRQSA-N
MW354.61 g/mol
LogP5.52
Rot. Bonds7

About tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane

tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane (PubChem CID 18605962) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane
PubChem CID18605962
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nametert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane
SMILESC=CC[C@@H]1CC[C@H](OC2CCCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-7-10-16-12-13-18(23-19-11-8-9-14-21-19)17(16)15-22-24(5,6)20(2,3)4/h7,16-19H,1,8-15H2,2-6H3/t16-,17+,18+,19?/m1/s1
InChIKeyAUCUQGANUWBPQZ-CJPNDHRQSA-N
XLogP5.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.52
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-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane (CID 18605962) is tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane is C=CC[C@@H]1CC[C@H](OC2CCCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane?
The InChIKey is AUCUQGANUWBPQZ-CJPNDHRQSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-7-10-16-12-13-18(23-19-11-8-9-14-21-19)17(16)15-22-24(5,6)20(2,3)4/h7,16-19H,1,8-15H2,2-6H3/t16-,17+,18+,19?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane?
tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane has a molecular weight of 354.61 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane is sourced from PubChem (CID 18605962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).