[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate

C20H40O6Si — CID 58454753

IUPAC[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate
SMILESCOCCCCC(=O)OCCCCC(=O)OCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O6Si/c1-20(2,3)27(5,6)26-17-11-16-25-19(22)13-8-10-15-24-18(21)12-7-9-14-23-4/h7-17H2,1-6H3
InChIKeyPBYHFSQPQYIPCQ-UHFFFAOYSA-N
MW404.62 g/mol
LogP4.47
Rot. Bonds15

About [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate

[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate (PubChem CID 58454753) has the molecular formula C20H40O6Si and a molecular weight of 404.62 g/mol. Its IUPAC name is [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate.

Molecular Properties

Compound Name[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate
PubChem CID58454753
Molecular FormulaC20H40O6Si
Molecular Weight404.62 g/mol
Exact Mass404.26
IUPAC Name[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate
SMILESCOCCCCC(=O)OCCCCC(=O)OCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O6Si/c1-20(2,3)27(5,6)26-17-11-16-25-19(22)13-8-10-15-24-18(21)12-7-9-14-23-4/h7-17H2,1-6H3
InChIKeyPBYHFSQPQYIPCQ-UHFFFAOYSA-N
XLogP4.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.62
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
Methyl 5-(tert-butyl-dimethylsilyl)oxypentanoate
CID 11139432
Glutaric acid, tert-butyldimethylsilyl ester
CID 91733296
Glutaric acid, ethyltrimethylsilyl ester
CID 552371
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate
CID 14531358
5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14569488
5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate
CID 14569496
Methyl tert-butyldimethylsilyl 3-[(tert-butyldimethylsilyl)oxy]pentanedioate
CID 13327279
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 13327281
[Tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
1-O-butyl 5-O-methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 57615015

Frequently Asked Questions

What is the IUPAC name of [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate?
The IUPAC name of [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate (CID 58454753) is [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate.
What is the SMILES notation for [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate?
The canonical SMILES for [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate is COCCCCC(=O)OCCCCC(=O)OCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate?
The InChIKey is PBYHFSQPQYIPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O6Si/c1-20(2,3)27(5,6)26-17-11-16-25-19(22)13-8-10-15-24-18(21)12-7-9-14-23-4/h7-17H2,1-6H3.
What are the key properties of [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate?
[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate has a molecular weight of 404.62 g/mol, XLogP of 4.47, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate is sourced from PubChem (CID 58454753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).