CID 18454148

C31H39O6Si4 — CID 18454148

IUPAC—
SMILESCOc1cccc([Si]C(C)C([Si])(C(C)[Si]c2cccc(OC)c2OC)C(C)[Si]c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C31H39O6Si4/c1-19(39-25-16-10-13-22(32-4)28(25)35-7)31(38,20(2)40-26-17-11-14-23(33-5)29(26)36-8)21(3)41-27-18-12-15-24(34-6)30(27)37-9/h10-21H,1-9H3
InChIKeyOBTNVLFGPLFLKJ-UHFFFAOYSA-N
MW619.99 g/mol
LogP3.88
Rot. Bonds15

About CID 18454148

CID 18454148 (PubChem CID 18454148) has the molecular formula C31H39O6Si4 and a molecular weight of 619.99 g/mol.

Molecular Properties

Compound NameCID 18454148
PubChem CID18454148
Molecular FormulaC31H39O6Si4
Molecular Weight619.99 g/mol
Exact Mass619.18
IUPAC Name—
SMILESCOc1cccc([Si]C(C)C([Si])(C(C)[Si]c2cccc(OC)c2OC)C(C)[Si]c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C31H39O6Si4/c1-19(39-25-16-10-13-22(32-4)28(25)35-7)31(38,20(2)40-26-17-11-14-23(33-5)29(26)36-8)21(3)41-27-18-12-15-24(34-6)30(27)37-9/h10-21H,1-9H3
InChIKeyOBTNVLFGPLFLKJ-UHFFFAOYSA-N
XLogP3.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.99
LogP ≤ 53.88
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 18454148?
The IUPAC name of CID 18454148 (CID 18454148) is not available.
What is the SMILES notation for CID 18454148?
The canonical SMILES for CID 18454148 is COc1cccc([Si]C(C)C([Si])(C(C)[Si]c2cccc(OC)c2OC)C(C)[Si]c2cccc(OC)c2OC)c1OC.
What is the InChIKey of CID 18454148?
The InChIKey is OBTNVLFGPLFLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39O6Si4/c1-19(39-25-16-10-13-22(32-4)28(25)35-7)31(38,20(2)40-26-17-11-14-23(33-5)29(26)36-8)21(3)41-27-18-12-15-24(34-6)30(27)37-9/h10-21H,1-9H3.
What are the key properties of CID 18454148?
CID 18454148 has a molecular weight of 619.99 g/mol, XLogP of 3.88, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18454148 is sourced from PubChem (CID 18454148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).