tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane

C20H40O3Si — CID 11233615

IUPACtert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](C)[C@H](C[C@@H]1COC(CC)(CC)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-10-13-16(4)18(23-24(8,9)19(5,6)7)14-17-15-21-20(11-2,12-3)22-17/h10,16-18H,1,11-15H2,2-9H3/t16-,17-,18+/m1/s1
InChIKeySWHZQRAHVLUYRC-KURKYZTESA-N
MW356.62 g/mol
LogP5.91
Rot. Bonds9

About tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane (PubChem CID 11233615) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane
PubChem CID11233615
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Nametert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](C)[C@H](C[C@@H]1COC(CC)(CC)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-10-13-16(4)18(23-24(8,9)19(5,6)7)14-17-15-21-20(11-2,12-3)22-17/h10,16-18H,1,11-15H2,2-9H3/t16-,17-,18+/m1/s1
InChIKeySWHZQRAHVLUYRC-KURKYZTESA-N
XLogP5.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.91
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
[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
CID 11304093
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
(3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]pent-4-en-1-ol
CID 11760912
(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol
CID 59071257
(2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol
CID 59071276
tert-butyl-[2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124818
tert-butyl-[2-[(4S,5R)-5-[(Z,5R)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124859

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane (CID 11233615) is tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane is C=CC[C@@H](C)[C@H](C[C@@H]1COC(CC)(CC)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane?
The InChIKey is SWHZQRAHVLUYRC-KURKYZTESA-N. The full InChI is InChI=1S/C20H40O3Si/c1-10-13-16(4)18(23-24(8,9)19(5,6)7)14-17-15-21-20(11-2,12-3)22-17/h10,16-18H,1,11-15H2,2-9H3/t16-,17-,18+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane has a molecular weight of 356.62 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11233615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).