dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate

C16H34O4Si2 — CID 14435997

IUPACdimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-10-11-16(15(18)20-3,22(7,8)9)12-13(14(17)19-2)21(4,5)6/h13H,10-12H2,1-9H3
InChIKeyANIXROZRHZSVRG-UHFFFAOYSA-N
MW346.62 g/mol
LogP4.31
Rot. Bonds8

About dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate

dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14435997) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14435997
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Namedimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-10-11-16(15(18)20-3,22(7,8)9)12-13(14(17)19-2)21(4,5)6/h13H,10-12H2,1-9H3
InChIKeyANIXROZRHZSVRG-UHFFFAOYSA-N
XLogP4.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate (CID 14435997) is dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate is CCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is ANIXROZRHZSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-10-11-16(15(18)20-3,22(7,8)9)12-13(14(17)19-2)21(4,5)6/h13H,10-12H2,1-9H3.
What are the key properties of dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate?
dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 346.62 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14435997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).