dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate

C19H40O4Si3 — CID 10598027

IUPACdimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate
SMILESC=C(CC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H40O4Si3/c1-15(24(4,5)6)13-19(18(21)23-3,26(10,11)12)14-16(17(20)22-2)25(7,8)9/h16H,1,13-14H2,2-12H3
InChIKeyORBCMILJXDURQV-UHFFFAOYSA-N
MW416.78 g/mol
LogP5.33
Rot. Bonds9

About dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate

dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate (PubChem CID 10598027) has the molecular formula C19H40O4Si3 and a molecular weight of 416.78 g/mol. Its IUPAC name is dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate
PubChem CID10598027
Molecular FormulaC19H40O4Si3
Molecular Weight416.78 g/mol
Exact Mass416.22
IUPAC Namedimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate
SMILESC=C(CC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H40O4Si3/c1-15(24(4,5)6)13-19(18(21)23-3,26(10,11)12)14-16(17(20)22-2)25(7,8)9/h16H,1,13-14H2,2-12H3
InChIKeyORBCMILJXDURQV-UHFFFAOYSA-N
XLogP5.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.78
LogP ≤ 55.33
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

Dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435995
Dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14531357
Dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate
CID 10742659
5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14569490
5-O-ethyl 1-O-methyl (2S,4S)-2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
CID 21605786
dimethyl (2S,4S)-2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
CID 21605788
Dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate
CID 177384734

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate?
The IUPAC name of dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate (CID 10598027) is dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate.
What is the SMILES notation for dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate?
The canonical SMILES for dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate is C=C(CC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate?
The InChIKey is ORBCMILJXDURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4Si3/c1-15(24(4,5)6)13-19(18(21)23-3,26(10,11)12)14-16(17(20)22-2)25(7,8)9/h16H,1,13-14H2,2-12H3.
What are the key properties of dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate?
dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate has a molecular weight of 416.78 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate is sourced from PubChem (CID 10598027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).