tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid

C19H32O6Si — CID 174782746

IUPACtert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid
SMILESCCCc1ccc(O[Si](C)(C)C(C)(C)C)cc1.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C15H26OSi.C4H6O5/c1-7-8-13-9-11-14(12-10-13)16-17(5,6)15(2,3)4;5-2(4(8)9)1-3(6)7/h9-12H,7-8H2,1-6H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyDNCCNLIHGZLSFS-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.93
Rot. Bonds7

About tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid

tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid (PubChem CID 174782746) has the molecular formula C19H32O6Si and a molecular weight of 384.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid
PubChem CID174782746
Molecular FormulaC19H32O6Si
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Nametert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid
SMILESCCCc1ccc(O[Si](C)(C)C(C)(C)C)cc1.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C15H26OSi.C4H6O5/c1-7-8-13-9-11-14(12-10-13)16-17(5,6)15(2,3)4;5-2(4(8)9)1-3(6)7/h9-12H,7-8H2,1-6H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyDNCCNLIHGZLSFS-UHFFFAOYSA-N
XLogP3.93
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
CID 102018179
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 68833938
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]butanal
CID 155935075
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
tert-butyl-dimethyl-[4-(2-triethylsilyloxyethyl)phenoxy]silane
CID 100946322
7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxy-3-oxo-5-phenylheptanoic acid
CID 18798712
tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane
CID 142715301
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
CID 175230799
(3S,7S)-1,9-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-[(4-methoxyphenyl)methoxy]nonan-5-one
CID 71559573

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid?
The IUPAC name of tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid (CID 174782746) is tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid.
What is the SMILES notation for tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid?
The canonical SMILES for tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid is CCCc1ccc(O[Si](C)(C)C(C)(C)C)cc1.O=C(O)CC(O)C(=O)O.
What is the InChIKey of tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid?
The InChIKey is DNCCNLIHGZLSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi.C4H6O5/c1-7-8-13-9-11-14(12-10-13)16-17(5,6)15(2,3)4;5-2(4(8)9)1-3(6)7/h9-12H,7-8H2,1-6H3;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid?
tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid has a molecular weight of 384.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid is sourced from PubChem (CID 174782746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).