tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane

C19H36O4Si — CID 11416997

IUPACtert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane
SMILESC=C1CC[C@@H](CC2COC(C)(C)O2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-14-9-10-15(11-16-12-20-19(5,6)23-16)22-17(14)13-21-24(7,8)18(2,3)4/h15-17H,1,9-13H2,2-8H3/t15-,16?,17+/m0/s1
InChIKeyPOWABPJCJRIMND-RPCGPGEBSA-N
MW356.58 g/mol
LogP4.65
Rot. Bonds5

About tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane (PubChem CID 11416997) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane
PubChem CID11416997
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Nametert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane
SMILESC=C1CC[C@@H](CC2COC(C)(C)O2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-14-9-10-15(11-16-12-20-19(5,6)23-16)22-17(14)13-21-24(7,8)18(2,3)4/h15-17H,1,9-13H2,2-8H3/t15-,16?,17+/m0/s1
InChIKeyPOWABPJCJRIMND-RPCGPGEBSA-N
XLogP4.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane (CID 11416997) is tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane is C=C1CC[C@@H](CC2COC(C)(C)O2)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is POWABPJCJRIMND-RPCGPGEBSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-14-9-10-15(11-16-12-20-19(5,6)23-16)22-17(14)13-21-24(7,8)18(2,3)4/h15-17H,1,9-13H2,2-8H3/t15-,16?,17+/m0/s1.
What are the key properties of tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 356.58 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,6S)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylideneoxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11416997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).