dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate

C18H38O4Si2 — CID 14436003

IUPACdimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
SMILESCOC(=O)C(CC(CCC(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-14(2)11-12-18(17(20)22-4,24(8,9)10)13-15(16(19)21-3)23(5,6)7/h14-15H,11-13H2,1-10H3
InChIKeyNBVHOZSYOILCEN-UHFFFAOYSA-N
MW374.67 g/mol
LogP4.95
Rot. Bonds9

About dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate

dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14436003) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14436003
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namedimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
SMILESCOC(=O)C(CC(CCC(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-14(2)11-12-18(17(20)22-4,24(8,9)10)13-15(16(19)21-3)23(5,6)7/h14-15H,11-13H2,1-10H3
InChIKeyNBVHOZSYOILCEN-UHFFFAOYSA-N
XLogP4.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.95
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

methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate
CID 134872147
Dimethyl 3-(2-ethylhexyl)pentanedioate
CID 145865800
Glutaric acid, 2-tetradecyl-, dimethyl ester
CID 594688
Dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435995
Dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435999
Dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436005
Methyl 1,4,14-tetradecanetrioate
CID 91692688
1,3,5-Pentanetricarboxylic acid tris(trimethylsilyl) ester
CID 101618131
CID 23514798
CID 23514798
1-O-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl] 4-O-(2-methoxyethyl) 6-O,8-O-dimethyl 1,1,8-trimethyldecane-1,4,6,8-tetracarboxylate
CID 53793795
Tetramethyl tetradecane-1,6,8,14-tetracarboxylate
CID 54012981
Dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate
CID 54420260

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate (CID 14436003) is dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate is COC(=O)C(CC(CCC(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is NBVHOZSYOILCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-14(2)11-12-18(17(20)22-4,24(8,9)10)13-15(16(19)21-3)23(5,6)7/h14-15H,11-13H2,1-10H3.
What are the key properties of dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate?
dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 374.67 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14436003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).