CID 23542281

C20H32O6Si2 — CID 23542281

IUPAC—
SMILESCC(O)[Si](C)CCCOC(=O)c1cccc(C(=O)OCCC[Si](C)C(C)O)c1
InChIInChI=1S/C20H32O6Si2/c1-15(21)27(3)12-6-10-25-19(23)17-8-5-9-18(14-17)20(24)26-11-7-13-28(4)16(2)22/h5,8-9,14-16,21-22H,6-7,10-13H2,1-4H3
InChIKeyDKYHSHJBDXGETG-UHFFFAOYSA-N
MW424.64 g/mol
LogP2.87
Rot. Bonds12

About CID 23542281

CID 23542281 (PubChem CID 23542281) has the molecular formula C20H32O6Si2 and a molecular weight of 424.64 g/mol.

Molecular Properties

Compound NameCID 23542281
PubChem CID23542281
Molecular FormulaC20H32O6Si2
Molecular Weight424.64 g/mol
Exact Mass424.17
IUPAC Name—
SMILESCC(O)[Si](C)CCCOC(=O)c1cccc(C(=O)OCCC[Si](C)C(C)O)c1
InChIInChI=1S/C20H32O6Si2/c1-15(21)27(3)12-6-10-25-19(23)17-8-5-9-18(14-17)20(24)26-11-7-13-28(4)16(2)22/h5,8-9,14-16,21-22H,6-7,10-13H2,1-4H3
InChIKeyDKYHSHJBDXGETG-UHFFFAOYSA-N
XLogP2.87
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

bis(3-methylbutyl) benzene-1,3-dicarboxylate
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3-[4-(3-carboxybenzoyl)oxybutoxycarbonyl]benzoic acid
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ditetradecyl benzene-1,3-dicarboxylate
CID 102084318
bis(3-chloropropyl) benzene-1,3-dicarboxylate
CID 101326811
3-[5-(3-carboxybenzoyl)oxypentoxycarbonyl]benzoic acid
CID 70459829
3-(10-methylundecoxycarbonyl)benzoic acid
CID 162373952
4-methylpentyl 3-[bis(2-methylpropyl)carbamoyl]benzoate
CID 91737153
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071
1-O-dodecyl 3-O-(3-methylbutyl) benzene-1,3-dicarboxylate
CID 91737391
butyl 3-carbamoylbenzoate
CID 112725414
3-O-octyl 1-O-propyl benzene-1,3-dicarboxylate
CID 91734111
bis(3-methylpentyl) benzene-1,3-dicarboxylate
CID 67161864

Frequently Asked Questions

What is the IUPAC name of CID 23542281?
The IUPAC name of CID 23542281 (CID 23542281) is not available.
What is the SMILES notation for CID 23542281?
The canonical SMILES for CID 23542281 is CC(O)[Si](C)CCCOC(=O)c1cccc(C(=O)OCCC[Si](C)C(C)O)c1.
What is the InChIKey of CID 23542281?
The InChIKey is DKYHSHJBDXGETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O6Si2/c1-15(21)27(3)12-6-10-25-19(23)17-8-5-9-18(14-17)20(24)26-11-7-13-28(4)16(2)22/h5,8-9,14-16,21-22H,6-7,10-13H2,1-4H3.
What are the key properties of CID 23542281?
CID 23542281 has a molecular weight of 424.64 g/mol, XLogP of 2.87, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23542281 is sourced from PubChem (CID 23542281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).