bis[tert-butyl(dimethyl)silyl] hexanedioate

C18H38O4Si2 — CID 528567

IUPACbis[tert-butyl(dimethyl)silyl] hexanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-15(19)13-11-12-14-16(20)22-24(9,10)18(4,5)6/h11-14H2,1-10H3
InChIKeyPKYLRYVHBVWCFV-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.64
Rot. Bonds7

About bis[tert-butyl(dimethyl)silyl] hexanedioate

bis[tert-butyl(dimethyl)silyl] hexanedioate (PubChem CID 528567) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] hexanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] hexanedioate
PubChem CID528567
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namebis[tert-butyl(dimethyl)silyl] hexanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-15(19)13-11-12-14-16(20)22-24(9,10)18(4,5)6/h11-14H2,1-10H3
InChIKeyPKYLRYVHBVWCFV-UHFFFAOYSA-N
XLogP5.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
CID 91697184
[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
CID 23067022
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
CID 91713351
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
CID 91719359
[tert-butyl(dimethyl)silyl] icosa-5,8,11-triynoate
CID 91697197

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] hexanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] hexanedioate (CID 528567) is bis[tert-butyl(dimethyl)silyl] hexanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] hexanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] hexanedioate is CC(C)(C)[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] hexanedioate?
The InChIKey is PKYLRYVHBVWCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-15(19)13-11-12-14-16(20)22-24(9,10)18(4,5)6/h11-14H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] hexanedioate?
bis[tert-butyl(dimethyl)silyl] hexanedioate has a molecular weight of 374.67 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] hexanedioate is sourced from PubChem (CID 528567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).