6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide

C27H57NO5Si2 — CID 173055573

IUPAC6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide
SMILESCC(C)(C)[Si](C)(C)CCCOCC(O)CC=C(CC(O)COCCC[Si](C)(C)C(C)(C)C)C(N)=O
InChIInChI=1S/C27H57NO5Si2/c1-26(2,3)34(7,8)17-11-15-32-20-23(29)14-13-22(25(28)31)19-24(30)21-33-16-12-18-35(9,10)27(4,5)6/h13,23-24,29-30H,11-12,14-21H2,1-10H3,(H2,28,31)
InChIKeyCGXUHVQKDVTRIY-UHFFFAOYSA-N
MW531.93 g/mol
LogP5.73
Rot. Bonds17

About 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide

6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide (PubChem CID 173055573) has the molecular formula C27H57NO5Si2 and a molecular weight of 531.93 g/mol. Its IUPAC name is 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide.

Molecular Properties

Compound Name6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide
PubChem CID173055573
Molecular FormulaC27H57NO5Si2
Molecular Weight531.93 g/mol
Exact Mass531.38
IUPAC Name6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide
SMILESCC(C)(C)[Si](C)(C)CCCOCC(O)CC=C(CC(O)COCCC[Si](C)(C)C(C)(C)C)C(N)=O
InChIInChI=1S/C27H57NO5Si2/c1-26(2,3)34(7,8)17-11-15-32-20-23(29)14-13-22(25(28)31)19-24(30)21-33-16-12-18-35(9,10)27(4,5)6/h13,23-24,29-30H,11-12,14-21H2,1-10H3,(H2,28,31)
InChIKeyCGXUHVQKDVTRIY-UHFFFAOYSA-N
XLogP5.73
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.93
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide?
The IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide (CID 173055573) is 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide.
What is the SMILES notation for 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide?
The canonical SMILES for 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide is CC(C)(C)[Si](C)(C)CCCOCC(O)CC=C(CC(O)COCCC[Si](C)(C)C(C)(C)C)C(N)=O.
What is the InChIKey of 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide?
The InChIKey is CGXUHVQKDVTRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NO5Si2/c1-26(2,3)34(7,8)17-11-15-32-20-23(29)14-13-22(25(28)31)19-24(30)21-33-16-12-18-35(9,10)27(4,5)6/h13,23-24,29-30H,11-12,14-21H2,1-10H3,(H2,28,31).
What are the key properties of 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide?
6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide has a molecular weight of 531.93 g/mol, XLogP of 5.73, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide is sourced from PubChem (CID 173055573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).