CID 23514798

C21H40O6Si3 — CID 23514798

IUPAC—
SMILESC[Si]C(C)(C)OC(=O)C1CC(C(=O)OC[Si](C)(C)C)CC(C(=O)OC[Si](C)(C)C)C1
InChIInChI=1S/C21H40O6Si3/c1-21(2,28-3)27-20(24)17-11-15(18(22)25-13-29(4,5)6)10-16(12-17)19(23)26-14-30(7,8)9/h15-17H,10-14H2,1-9H3
InChIKeyZAGQLRJLBSAZJL-UHFFFAOYSA-N
MW472.80 g/mol
LogP3.89
Rot. Bonds9

About CID 23514798

CID 23514798 (PubChem CID 23514798) has the molecular formula C21H40O6Si3 and a molecular weight of 472.80 g/mol.

Molecular Properties

Compound NameCID 23514798
PubChem CID23514798
Molecular FormulaC21H40O6Si3
Molecular Weight472.80 g/mol
Exact Mass472.21
IUPAC Name—
SMILESC[Si]C(C)(C)OC(=O)C1CC(C(=O)OC[Si](C)(C)C)CC(C(=O)OC[Si](C)(C)C)C1
InChIInChI=1S/C21H40O6Si3/c1-21(2,28-3)27-20(24)17-11-15(18(22)25-13-29(4,5)6)10-16(12-17)19(23)26-14-30(7,8)9/h15-17H,10-14H2,1-9H3
InChIKeyZAGQLRJLBSAZJL-UHFFFAOYSA-N
XLogP3.89
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.80
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Bis(2-ethylhexyl) cyclohexane-1,3-dicarboxylate
CID 23444085
Cyclohexane-1,3-dicarboxylic acid dioctyl ester
CID 23444124
Dimethyl 2-propyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435997
Dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435999
Dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14436001
Dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436003
Dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436005
5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate
CID 14531359
1-O-ethyl 3-O,5-O-dimethyl 1,3,5-tris(trimethylsilyl)pentane-1,3,5-tricarboxylate
CID 14531363
trans-ethyl (1S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclohexane-1-carboxylate
CID 21725788
Tris(2-methylpropyl) cyclohexane-1,3,5-tricarboxylate
CID 12447306
Tris(2-ethylhexyl) cyclohexane-1,3,5-tricarboxylate
CID 12447307

Frequently Asked Questions

What is the IUPAC name of CID 23514798?
The IUPAC name of CID 23514798 (CID 23514798) is not available.
What is the SMILES notation for CID 23514798?
The canonical SMILES for CID 23514798 is C[Si]C(C)(C)OC(=O)C1CC(C(=O)OC[Si](C)(C)C)CC(C(=O)OC[Si](C)(C)C)C1.
What is the InChIKey of CID 23514798?
The InChIKey is ZAGQLRJLBSAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O6Si3/c1-21(2,28-3)27-20(24)17-11-15(18(22)25-13-29(4,5)6)10-16(12-17)19(23)26-14-30(7,8)9/h15-17H,10-14H2,1-9H3.
What are the key properties of CID 23514798?
CID 23514798 has a molecular weight of 472.80 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23514798 is sourced from PubChem (CID 23514798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).