1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate

C14H30O4Si2 — CID 14531365

IUPAC1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate
SMILESCCOC(=O)C(CC(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-9-18-14(16)12(20(6,7)8)10-11(13(15)17-2)19(3,4)5/h11-12H,9-10H2,1-8H3
InChIKeyYINOEHXWDDCHLZ-UHFFFAOYSA-N
MW318.56 g/mol
LogP3.53
Rot. Bonds7

About 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate

1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14531365) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Name1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14531365
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Name1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate
SMILESCCOC(=O)C(CC(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-9-18-14(16)12(20(6,7)8)10-11(13(15)17-2)19(3,4)5/h11-12H,9-10H2,1-8H3
InChIKeyYINOEHXWDDCHLZ-UHFFFAOYSA-N
XLogP3.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl glutarate
CID 13163
Dibutyl glutarate
CID 81101
Dipropyl glutarate
CID 74407
Dipentyl glutarate
CID 3016634
Glutaric acid, ethyl propyl ester
CID 22057004
Glutaric acid, butyl ethyl ester
CID 22057014
Glutaric acid, ethyl pentyl ester
CID 86030756
Methyl 5-(tert-butyl-dimethylsilyl)oxypentanoate
CID 11139432
Monomethyl glutarate, TMS derivative
CID 91733295
Glutaric acid, tert-butyldimethylsilyl ester
CID 91733296
Glutaric acid, ethyltrimethylsilyl ester
CID 552371
5-Oxo-5-[2-(trimethylsilyl)ethoxy]pentanoic Acid
CID 85923101

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate (CID 14531365) is 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate is CCOC(=O)C(CC(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is YINOEHXWDDCHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-9-18-14(16)12(20(6,7)8)10-11(13(15)17-2)19(3,4)5/h11-12H,9-10H2,1-8H3.
What are the key properties of 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate?
1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 318.56 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14531365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).