CID 170609919

C18H26Cl2N4O2Si- — CID 170609919

IUPAC—
SMILESCC(C)(C)[Si-](C)(C)OCCN1C=C(n2ccc3c(O)cc(Cl)c(Cl)c32)NN1
InChIInChI=1S/C18H26Cl2N4O2Si/c1-18(2,3)27(4,5)26-9-8-23-11-15(21-22-23)24-7-6-12-14(25)10-13(19)16(20)17(12)24/h6-7,10-11,21-22,25H,8-9H2,1-5H3/q-1
InChIKeyGPJMAKNSRTUGOI-UHFFFAOYSA-N
MW429.42 g/mol
LogP4.76
Rot. Bonds5

About CID 170609919

CID 170609919 (PubChem CID 170609919) has the molecular formula C18H26Cl2N4O2Si- and a molecular weight of 429.42 g/mol.

Molecular Properties

Compound NameCID 170609919
PubChem CID170609919
Molecular FormulaC18H26Cl2N4O2Si-
Molecular Weight429.42 g/mol
Exact Mass428.12
IUPAC Name—
SMILESCC(C)(C)[Si-](C)(C)OCCN1C=C(n2ccc3c(O)cc(Cl)c(Cl)c32)NN1
InChIInChI=1S/C18H26Cl2N4O2Si/c1-18(2,3)27(4,5)26-9-8-23-11-15(21-22-23)24-7-6-12-14(25)10-13(19)16(20)17(12)24/h6-7,10-11,21-22,25H,8-9H2,1-5H3/q-1
InChIKeyGPJMAKNSRTUGOI-UHFFFAOYSA-N
XLogP4.76
TPSA61.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,7-Dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol
CID 170550452
1-[1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol
CID 170550480
CID 170609918
CID 170609918
CID 170610161
CID 170610161

Frequently Asked Questions

What is the IUPAC name of CID 170609919?
The IUPAC name of CID 170609919 (CID 170609919) is not available.
What is the SMILES notation for CID 170609919?
The canonical SMILES for CID 170609919 is CC(C)(C)[Si-](C)(C)OCCN1C=C(n2ccc3c(O)cc(Cl)c(Cl)c32)NN1.
What is the InChIKey of CID 170609919?
The InChIKey is GPJMAKNSRTUGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N4O2Si/c1-18(2,3)27(4,5)26-9-8-23-11-15(21-22-23)24-7-6-12-14(25)10-13(19)16(20)17(12)24/h6-7,10-11,21-22,25H,8-9H2,1-5H3/q-1.
What are the key properties of CID 170609919?
CID 170609919 has a molecular weight of 429.42 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170609919 is sourced from PubChem (CID 170609919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).