[(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane

C18H36O3Si — CID 10991096

IUPAC[(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@H](C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-11-13(2)15-16(21-18(7,8)20-15)14(3)12-19-22(9,10)17(4,5)6/h11,13-16H,1,12H2,2-10H3/t13-,14-,15-,16-/m0/s1
InChIKeyUSSZVAXJNHNQOT-VGWMRTNUSA-N
MW328.57 g/mol
LogP4.99
Rot. Bonds6

About [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane

[(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane (PubChem CID 10991096) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
PubChem CID10991096
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name[(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@H](C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-11-13(2)15-16(21-18(7,8)20-15)14(3)12-19-22(9,10)17(4,5)6/h11,13-16H,1,12H2,2-10H3/t13-,14-,15-,16-/m0/s1
InChIKeyUSSZVAXJNHNQOT-VGWMRTNUSA-N
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.99
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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Related Compounds

[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 11222033
[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 24861887
tert-butyl-dimethyl-[(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-yl]oxysilane
CID 44220841
[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
tert-butyl-dimethyl-[(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-yl]oxysilane
CID 135039837
tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane
CID 154719882
tert-butyl-[(1R,2S,3R)-6,6-dibromo-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane
CID 11071617
[(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 14811208
tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58160460
tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane
CID 58304851
tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58304891
2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304953

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane (CID 10991096) is [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane is C=C[C@H](C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The InChIKey is USSZVAXJNHNQOT-VGWMRTNUSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-11-13(2)15-16(21-18(7,8)20-15)14(3)12-19-22(9,10)17(4,5)6/h11,13-16H,1,12H2,2-10H3/t13-,14-,15-,16-/m0/s1.
What are the key properties of [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane?
[(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane has a molecular weight of 328.57 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10991096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).