tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane

C24H50O6Si — CID 10623941

IUPACtert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane
SMILESC=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOC)OC
InChIInChI=1S/C24H50O6Si/c1-12-21(27-9)14-13-19(2)23(29-18-26-8)20(3)22(28-17-25-7)15-16-30-31(10,11)24(4,5)6/h12,19-23H,1,13-18H2,2-11H3/t19-,20-,21-,22-,23-/m1/s1
InChIKeyKNFSKSXAEKXKLN-GNJRFXKQSA-N
MW462.74 g/mol
LogP5.63
Rot. Bonds18

About tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane

tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane (PubChem CID 10623941) has the molecular formula C24H50O6Si and a molecular weight of 462.74 g/mol. Its IUPAC name is tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane
PubChem CID10623941
Molecular FormulaC24H50O6Si
Molecular Weight462.74 g/mol
Exact Mass462.34
IUPAC Nametert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane
SMILESC=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOC)OC
InChIInChI=1S/C24H50O6Si/c1-12-21(27-9)14-13-19(2)23(29-18-26-8)20(3)22(28-17-25-7)15-16-30-31(10,11)24(4,5)6/h12,19-23H,1,13-18H2,2-11H3/t19-,20-,21-,22-,23-/m1/s1
InChIKeyKNFSKSXAEKXKLN-GNJRFXKQSA-N
XLogP5.63
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.74
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane (CID 10623941) is tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane is C=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOC)OC.
What is the InChIKey of tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane?
The InChIKey is KNFSKSXAEKXKLN-GNJRFXKQSA-N. The full InChI is InChI=1S/C24H50O6Si/c1-12-21(27-9)14-13-19(2)23(29-18-26-8)20(3)22(28-17-25-7)15-16-30-31(10,11)24(4,5)6/h12,19-23H,1,13-18H2,2-11H3/t19-,20-,21-,22-,23-/m1/s1.
What are the key properties of tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane?
tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane has a molecular weight of 462.74 g/mol, XLogP of 5.63, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane is sourced from PubChem (CID 10623941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).