CID 18454011

C32H42O6Si3 — CID 18454011

IUPAC—
SMILESCOc1cccc([Si]C(C)C(C)(C(C)[Si]c2cccc(OC)c2OC)C(C)[Si]c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C32H42O6Si3/c1-20(39-26-17-11-14-23(33-5)29(26)36-8)32(4,21(2)40-27-18-12-15-24(34-6)30(27)37-9)22(3)41-28-19-13-16-25(35-7)31(28)38-10/h11-22H,1-10H3
InChIKeyRAUKBWDNSLFIBI-UHFFFAOYSA-N
MW606.94 g/mol
LogP4.56
Rot. Bonds15

About CID 18454011

CID 18454011 (PubChem CID 18454011) has the molecular formula C32H42O6Si3 and a molecular weight of 606.94 g/mol.

Molecular Properties

Compound NameCID 18454011
PubChem CID18454011
Molecular FormulaC32H42O6Si3
Molecular Weight606.94 g/mol
Exact Mass606.23
IUPAC Name—
SMILESCOc1cccc([Si]C(C)C(C)(C(C)[Si]c2cccc(OC)c2OC)C(C)[Si]c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C32H42O6Si3/c1-20(39-26-17-11-14-23(33-5)29(26)36-8)32(4,21(2)40-27-18-12-15-24(34-6)30(27)37-9)22(3)41-28-19-13-16-25(35-7)31(28)38-10/h11-22H,1-10H3
InChIKeyRAUKBWDNSLFIBI-UHFFFAOYSA-N
XLogP4.56
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.94
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 CID 18454011?
The IUPAC name of CID 18454011 (CID 18454011) is not available.
What is the SMILES notation for CID 18454011?
The canonical SMILES for CID 18454011 is COc1cccc([Si]C(C)C(C)(C(C)[Si]c2cccc(OC)c2OC)C(C)[Si]c2cccc(OC)c2OC)c1OC.
What is the InChIKey of CID 18454011?
The InChIKey is RAUKBWDNSLFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O6Si3/c1-20(39-26-17-11-14-23(33-5)29(26)36-8)32(4,21(2)40-27-18-12-15-24(34-6)30(27)37-9)22(3)41-28-19-13-16-25(35-7)31(28)38-10/h11-22H,1-10H3.
What are the key properties of CID 18454011?
CID 18454011 has a molecular weight of 606.94 g/mol, XLogP of 4.56, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18454011 is sourced from PubChem (CID 18454011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).