4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid

C18H33NO7Si — CID 174831331

IUPAC4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid
SMILESCO[Si](CCCC=C(C)C(=O)OCC(C=C(C)C(=O)O)N(C)C)(OC)OC
InChIInChI=1S/C18H33NO7Si/c1-14(10-8-9-11-27(23-5,24-6)25-7)18(22)26-13-16(19(3)4)12-15(2)17(20)21/h10,12,16H,8-9,11,13H2,1-7H3,(H,20,21)
InChIKeyKEOAWEZBYUHENU-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.10
Rot. Bonds13

About 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid

4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid (PubChem CID 174831331) has the molecular formula C18H33NO7Si and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid
PubChem CID174831331
Molecular FormulaC18H33NO7Si
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC Name4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid
SMILESCO[Si](CCCC=C(C)C(=O)OCC(C=C(C)C(=O)O)N(C)C)(OC)OC
InChIInChI=1S/C18H33NO7Si/c1-14(10-8-9-11-27(23-5,24-6)25-7)18(22)26-13-16(19(3)4)12-15(2)17(20)21/h10,12,16H,8-9,11,13H2,1-7H3,(H,20,21)
InChIKeyKEOAWEZBYUHENU-UHFFFAOYSA-N
XLogP2.10
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
CID 57455697
2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
CID 173006687
(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
CID 87648980
2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate
CID 162204652
(4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid
CID 175331995
6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid
CID 91175043
2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid
CID 57280861
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
2-methyl-6-(2-methylbut-2-enoyloxy)hex-2-enoic acid
CID 175363881
6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid
CID 57086518
7-(3-carboxybut-2-enoxycarbonyl)-4-(dimethylamino)-2,6-dimethyldodeca-2,6-dienoic acid
CID 175289147
methyl 7-amino-2-methylhept-2-enoate
CID 86161223

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid?
The IUPAC name of 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid (CID 174831331) is 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid?
The canonical SMILES for 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid is CO[Si](CCCC=C(C)C(=O)OCC(C=C(C)C(=O)O)N(C)C)(OC)OC.
What is the InChIKey of 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid?
The InChIKey is KEOAWEZBYUHENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO7Si/c1-14(10-8-9-11-27(23-5,24-6)25-7)18(22)26-13-16(19(3)4)12-15(2)17(20)21/h10,12,16H,8-9,11,13H2,1-7H3,(H,20,21).
What are the key properties of 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid?
4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid has a molecular weight of 403.55 g/mol, XLogP of 2.10, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid is sourced from PubChem (CID 174831331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).