dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane

C16H32O5Si — CID 173231878

IUPACdimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane
SMILESC=C1[C@@H](COC(C)(C)C)O[C@](OC)([SiH](C)C)[C@H](OC)[C@H]1OC
InChIInChI=1S/C16H32O5Si/c1-11-12(10-20-15(2,3)4)21-16(19-7,22(8)9)14(18-6)13(11)17-5/h12-14,22H,1,10H2,2-9H3/t12-,13+,14-,16+/m1/s1
InChIKeyRBARWDLIRYXEBY-CTASWTNQSA-N
MW332.51 g/mol
LogP2.16
Rot. Bonds6

About dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane

dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane (PubChem CID 173231878) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane.

Molecular Properties

Compound Namedimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane
PubChem CID173231878
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namedimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane
SMILESC=C1[C@@H](COC(C)(C)C)O[C@](OC)([SiH](C)C)[C@H](OC)[C@H]1OC
InChIInChI=1S/C16H32O5Si/c1-11-12(10-20-15(2,3)4)21-16(19-7,22(8)9)14(18-6)13(11)17-5/h12-14,22H,1,10H2,2-9H3/t12-,13+,14-,16+/m1/s1
InChIKeyRBARWDLIRYXEBY-CTASWTNQSA-N
XLogP2.16
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane?
The IUPAC name of dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane (CID 173231878) is dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane.
What is the SMILES notation for dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane?
The canonical SMILES for dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane is C=C1[C@@H](COC(C)(C)C)O[C@](OC)([SiH](C)C)[C@H](OC)[C@H]1OC.
What is the InChIKey of dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane?
The InChIKey is RBARWDLIRYXEBY-CTASWTNQSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-11-12(10-20-15(2,3)4)21-16(19-7,22(8)9)14(18-6)13(11)17-5/h12-14,22H,1,10H2,2-9H3/t12-,13+,14-,16+/m1/s1.
What are the key properties of dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane?
dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane has a molecular weight of 332.51 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S,3R,4S,6S)-2,3,4-trimethoxy-5-methylidene-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]silane is sourced from PubChem (CID 173231878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).