CID 170609918

C18H27Cl2N4O2Si — CID 170609918

IUPAC—
SMILESCC(C)(C)[Si-](C)(C)OCCN1C=C(n2ccc3c(O)cc(Cl)c(Cl)c32)N[NH2+]1
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/p+1
InChIKeyGPJMAKNSRTUGOI-UHFFFAOYSA-O
MW430.43 g/mol
LogP3.73
Rot. Bonds5

About CID 170609918

CID 170609918 (PubChem CID 170609918) has the molecular formula C18H27Cl2N4O2Si and a molecular weight of 430.43 g/mol.

Molecular Properties

Compound NameCID 170609918
PubChem CID170609918
Molecular FormulaC18H27Cl2N4O2Si
Molecular Weight430.43 g/mol
Exact Mass429.13
IUPAC Name—
SMILESCC(C)(C)[Si-](C)(C)OCCN1C=C(n2ccc3c(O)cc(Cl)c(Cl)c32)N[NH2+]1
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/p+1
InChIKeyGPJMAKNSRTUGOI-UHFFFAOYSA-O
XLogP3.73
TPSA66.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 170610161
CID 170610161
CID 170609919
CID 170609919

Frequently Asked Questions

What is the IUPAC name of CID 170609918?
The IUPAC name of CID 170609918 (CID 170609918) is not available.
What is the SMILES notation for CID 170609918?
The canonical SMILES for CID 170609918 is CC(C)(C)[Si-](C)(C)OCCN1C=C(n2ccc3c(O)cc(Cl)c(Cl)c32)N[NH2+]1.
What is the InChIKey of CID 170609918?
The InChIKey is GPJMAKNSRTUGOI-UHFFFAOYSA-O. 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/p+1.
What are the key properties of CID 170609918?
CID 170609918 has a molecular weight of 430.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170609918 is sourced from PubChem (CID 170609918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).