6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide

C17H39NO5Si3 — CID 154382403

IUPAC6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide
SMILESCC(=CCC(O)COCCC[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)C(N)=O
InChIInChI=1S/C17H39NO5Si3/c1-14(16(18)20)9-10-15(19)13-21-11-8-12-24-17(22-25(2,3)4)23-26(5,6)7/h9,15,17,19H,8,10-13,24H2,1-7H3,(H2,18,20)
InChIKeyZPHDOPHUPUTIOO-UHFFFAOYSA-N
MW421.76 g/mol
LogP2.15
Rot. Bonds14

About 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide

6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide (PubChem CID 154382403) has the molecular formula C17H39NO5Si3 and a molecular weight of 421.76 g/mol. Its IUPAC name is 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide.

Molecular Properties

Compound Name6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide
PubChem CID154382403
Molecular FormulaC17H39NO5Si3
Molecular Weight421.76 g/mol
Exact Mass421.21
IUPAC Name6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide
SMILESCC(=CCC(O)COCCC[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)C(N)=O
InChIInChI=1S/C17H39NO5Si3/c1-14(16(18)20)9-10-15(19)13-21-11-8-12-24-17(22-25(2,3)4)23-26(5,6)7/h9,15,17,19H,8,10-13,24H2,1-7H3,(H2,18,20)
InChIKeyZPHDOPHUPUTIOO-UHFFFAOYSA-N
XLogP2.15
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.76
LogP ≤ 52.15
H-Bond Donors ≤ 52
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]propane-1,2-diol
CID 173060543
6-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxyhex-2-enamide
CID 173055573
3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol
CID 123241987
3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate
CID 123266848
3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl 2-methylprop-2-enoate
CID 154059943
[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 154406838
(E)-5-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 87432109
[3-[4-(3-but-2-enoyloxy-2-hydroxypropoxy)butoxy]-2-hydroxypropyl] but-2-enoate
CID 57242154
6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide
CID 141267898
[3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate
CID 123192869
[3-[3-[[3-(3-but-2-enoyloxy-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 123160039
3-(2-hydroxy-3-methoxypropoxy)propanamide
CID 172515689

Frequently Asked Questions

What is the IUPAC name of 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide?
The IUPAC name of 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide (CID 154382403) is 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide.
What is the SMILES notation for 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide?
The canonical SMILES for 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide is CC(=CCC(O)COCCC[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)C(N)=O.
What is the InChIKey of 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide?
The InChIKey is ZPHDOPHUPUTIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO5Si3/c1-14(16(18)20)9-10-15(19)13-21-11-8-12-24-17(22-25(2,3)4)23-26(5,6)7/h9,15,17,19H,8,10-13,24H2,1-7H3,(H2,18,20).
What are the key properties of 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide?
6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide has a molecular weight of 421.76 g/mol, XLogP of 2.15, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]-5-hydroxy-2-methylhex-2-enamide is sourced from PubChem (CID 154382403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).