CID 136697185

C29H31O4Si2 — CID 136697185

IUPAC—
SMILESCOc1cccc(OC)c1[Si](c1c(OC)cccc1OC)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31O4Si2/c1-30-24-18-12-19-25(31-2)28(24)34(29-26(32-3)20-13-21-27(29)33-4)35(5,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-21H,1-5H3
InChIKeyLMNLPUYQSGSKFR-UHFFFAOYSA-N
MW499.74 g/mol
LogP3.30
Rot. Bonds9

About CID 136697185

CID 136697185 (PubChem CID 136697185) has the molecular formula C29H31O4Si2 and a molecular weight of 499.74 g/mol.

Molecular Properties

Compound NameCID 136697185
PubChem CID136697185
Molecular FormulaC29H31O4Si2
Molecular Weight499.74 g/mol
Exact Mass499.18
IUPAC Name—
SMILESCOc1cccc(OC)c1[Si](c1c(OC)cccc1OC)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31O4Si2/c1-30-24-18-12-19-25(31-2)28(24)34(29-26(32-3)20-13-21-27(29)33-4)35(5,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-21H,1-5H3
InChIKeyLMNLPUYQSGSKFR-UHFFFAOYSA-N
XLogP3.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.74
LogP ≤ 53.30
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

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Frequently Asked Questions

What is the IUPAC name of CID 136697185?
The IUPAC name of CID 136697185 (CID 136697185) is not available.
What is the SMILES notation for CID 136697185?
The canonical SMILES for CID 136697185 is COc1cccc(OC)c1[Si](c1c(OC)cccc1OC)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 136697185?
The InChIKey is LMNLPUYQSGSKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31O4Si2/c1-30-24-18-12-19-25(31-2)28(24)34(29-26(32-3)20-13-21-27(29)33-4)35(5,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-21H,1-5H3.
What are the key properties of CID 136697185?
CID 136697185 has a molecular weight of 499.74 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136697185 is sourced from PubChem (CID 136697185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).