(4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol

C21H44O6Si — CID 11407516

IUPAC(4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol
SMILESC=CC[C@@H](O)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCC)OCOC
InChIInChI=1S/C21H44O6Si/c1-10-12-14-18(25-15-23-6)20(27-28(8,9)21(3,4)5)19(26-16-24-7)17(22)13-11-2/h11,17-20,22H,2,10,12-16H2,1,3-9H3/t17-,18+,19-,20-/m1/s1
InChIKeyDILKJGQLAGNPOS-IYWMVGAKSA-N
MW420.66 g/mol
LogP4.48
Rot. Bonds16

About (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol

(4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol (PubChem CID 11407516) has the molecular formula C21H44O6Si and a molecular weight of 420.66 g/mol. Its IUPAC name is (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol.

Molecular Properties

Compound Name(4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol
PubChem CID11407516
Molecular FormulaC21H44O6Si
Molecular Weight420.66 g/mol
Exact Mass420.29
IUPAC Name(4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol
SMILESC=CC[C@@H](O)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCC)OCOC
InChIInChI=1S/C21H44O6Si/c1-10-12-14-18(25-15-23-6)20(27-28(8,9)21(3,4)5)19(26-16-24-7)17(22)13-11-2/h11,17-20,22H,2,10,12-16H2,1,3-9H3/t17-,18+,19-,20-/m1/s1
InChIKeyDILKJGQLAGNPOS-IYWMVGAKSA-N
XLogP4.48
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.66
LogP ≤ 54.48
H-Bond Donors ≤ 51
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 (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol?
The IUPAC name of (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol (CID 11407516) is (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol.
What is the SMILES notation for (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol?
The canonical SMILES for (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol is C=CC[C@@H](O)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCC)OCOC.
What is the InChIKey of (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol?
The InChIKey is DILKJGQLAGNPOS-IYWMVGAKSA-N. The full InChI is InChI=1S/C21H44O6Si/c1-10-12-14-18(25-15-23-6)20(27-28(8,9)21(3,4)5)19(26-16-24-7)17(22)13-11-2/h11,17-20,22H,2,10,12-16H2,1,3-9H3/t17-,18+,19-,20-/m1/s1.
What are the key properties of (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol?
(4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol has a molecular weight of 420.66 g/mol, XLogP of 4.48, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol is sourced from PubChem (CID 11407516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).