triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane

C37H52O7Si — CID 146167782

IUPACtriethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane
SMILESC=C1O[C@H]2C[C@H]3O[C@@]4(C)C[C@H](COCc5ccccc5)O[C@@H]4C[C@H](OCc4ccccc4)[C@@H]3O[C@@H]2C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C37H52O7Si/c1-6-45(7-2,8-3)44-30-19-32-31(40-26(30)4)20-34-36(42-32)33(39-24-28-17-13-10-14-18-28)21-35-37(5,43-34)22-29(41-35)25-38-23-27-15-11-9-12-16-27/h9-18,29-36H,4,6-8,19-25H2,1-3,5H3/t29-,30+,31+,32-,33+,34-,35-,36+,37+/m1/s1
InChIKeyHCRWNBQETDSJFT-GXAQAUGPSA-N
MW636.90 g/mol
LogP7.34
Rot. Bonds12

About triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane

triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane (PubChem CID 146167782) has the molecular formula C37H52O7Si and a molecular weight of 636.90 g/mol. Its IUPAC name is triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane
PubChem CID146167782
Molecular FormulaC37H52O7Si
Molecular Weight636.90 g/mol
Exact Mass636.35
IUPAC Nametriethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane
SMILESC=C1O[C@H]2C[C@H]3O[C@@]4(C)C[C@H](COCc5ccccc5)O[C@@H]4C[C@H](OCc4ccccc4)[C@@H]3O[C@@H]2C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C37H52O7Si/c1-6-45(7-2,8-3)44-30-19-32-31(40-26(30)4)20-34-36(42-32)33(39-24-28-17-13-10-14-18-28)21-35-37(5,43-34)22-29(41-35)25-38-23-27-15-11-9-12-16-27/h9-18,29-36H,4,6-8,19-25H2,1-3,5H3/t29-,30+,31+,32-,33+,34-,35-,36+,37+/m1/s1
InChIKeyHCRWNBQETDSJFT-GXAQAUGPSA-N
XLogP7.34
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.90
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane?
The IUPAC name of triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane (CID 146167782) is triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane?
The canonical SMILES for triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane is C=C1O[C@H]2C[C@H]3O[C@@]4(C)C[C@H](COCc5ccccc5)O[C@@H]4C[C@H](OCc4ccccc4)[C@@H]3O[C@@H]2C[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane?
The InChIKey is HCRWNBQETDSJFT-GXAQAUGPSA-N. The full InChI is InChI=1S/C37H52O7Si/c1-6-45(7-2,8-3)44-30-19-32-31(40-26(30)4)20-34-36(42-32)33(39-24-28-17-13-10-14-18-28)21-35-37(5,43-34)22-29(41-35)25-38-23-27-15-11-9-12-16-27/h9-18,29-36H,4,6-8,19-25H2,1-3,5H3/t29-,30+,31+,32-,33+,34-,35-,36+,37+/m1/s1.
What are the key properties of triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane?
triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane has a molecular weight of 636.90 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(1R,3S,5R,7R,9S,10S,12R,14S,17S)-3-methyl-15-methylidene-9-phenylmethoxy-5-(phenylmethoxymethyl)-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-14-yl]oxy]silane is sourced from PubChem (CID 146167782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).