tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane

C17H30O2Si — CID 11687948

IUPACtert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
SMILESC/C=C/[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C2=C(CCC2)O1
InChIInChI=1S/C17H30O2Si/c1-7-9-13-12-16(14-10-8-11-15(14)18-13)19-20(5,6)17(2,3)4/h7,9,13,16H,8,10-12H2,1-6H3/b9-7+/t13-,16+/m0/s1
InChIKeyDTEAJKYUQKVDPQ-IUCCYITESA-N
MW294.51 g/mol
LogP5.18
Rot. Bonds3

About tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane

tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane (PubChem CID 11687948) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
PubChem CID11687948
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Nametert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
SMILESC/C=C/[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C2=C(CCC2)O1
InChIInChI=1S/C17H30O2Si/c1-7-9-13-12-16(14-10-8-11-15(14)18-13)19-20(5,6)17(2,3)4/h7,9,13,16H,8,10-12H2,1-6H3/b9-7+/t13-,16+/m0/s1
InChIKeyDTEAJKYUQKVDPQ-IUCCYITESA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.18
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'}

Analyze tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane with MolForge

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Launch Full Analysis

Related Compounds

triethyl-[[(2S,3R,4R)-3-propan-2-yl-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 25022822
triethyl-[[(2R,3S,4S)-3-propan-2-yl-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 44516378
2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
CID 134866027
tert-butyl-dimethyl-[[(2R,4R)-2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 135015875
tert-butyl-dimethyl-[[(2R,4R)-2-[(Z)-oct-1-en-3-ynyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 135016358
tert-butyl-[[(1R,9S,10R)-8,11-dioxatricyclo[7.4.0.02,6]trideca-2(6),12-dien-10-yl]methoxy]-dimethylsilane
CID 21670252
tert-butyl-[[(1R,9S,10S)-8,11-dioxatricyclo[7.4.0.02,6]trideca-2(6),12-dien-10-yl]methoxy]-dimethylsilane
CID 101088950
Tert-butyl-dimethyl-[3-[3-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-yl]propoxy]silane
CID 102171839
Tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane
CID 102475887

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane (CID 11687948) is tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane is C/C=C/[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C2=C(CCC2)O1.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane?
The InChIKey is DTEAJKYUQKVDPQ-IUCCYITESA-N. The full InChI is InChI=1S/C17H30O2Si/c1-7-9-13-12-16(14-10-8-11-15(14)18-13)19-20(5,6)17(2,3)4/h7,9,13,16H,8,10-12H2,1-6H3/b9-7+/t13-,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane?
tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane has a molecular weight of 294.51 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane is sourced from PubChem (CID 11687948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).