CID 70102370

C16H23N2O5Si — CID 70102370

IUPAC—
SMILESC[Si](C)OC(CC1Oc2cc([N+](=O)[O-])ccc2NC1=O)C(C)(C)C
InChIInChI=1S/C16H23N2O5Si/c1-16(2,3)14(23-24(4)5)9-13-15(19)17-11-7-6-10(18(20)21)8-12(11)22-13/h6-8,13-14H,9H2,1-5H3,(H,17,19)
InChIKeyIYBKDDUVWKMYOW-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.37
Rot. Bonds5

About CID 70102370

CID 70102370 (PubChem CID 70102370) has the molecular formula C16H23N2O5Si and a molecular weight of 351.46 g/mol.

Molecular Properties

Compound NameCID 70102370
PubChem CID70102370
Molecular FormulaC16H23N2O5Si
Molecular Weight351.46 g/mol
Exact Mass351.14
IUPAC Name—
SMILESC[Si](C)OC(CC1Oc2cc([N+](=O)[O-])ccc2NC1=O)C(C)(C)C
InChIInChI=1S/C16H23N2O5Si/c1-16(2,3)14(23-24(4)5)9-13-15(19)17-11-7-6-10(18(20)21)8-12(11)22-13/h6-8,13-14H,9H2,1-5H3,(H,17,19)
InChIKeyIYBKDDUVWKMYOW-UHFFFAOYSA-N
XLogP3.37
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70102370?
The IUPAC name of CID 70102370 (CID 70102370) is not available.
What is the SMILES notation for CID 70102370?
The canonical SMILES for CID 70102370 is C[Si](C)OC(CC1Oc2cc([N+](=O)[O-])ccc2NC1=O)C(C)(C)C.
What is the InChIKey of CID 70102370?
The InChIKey is IYBKDDUVWKMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2O5Si/c1-16(2,3)14(23-24(4)5)9-13-15(19)17-11-7-6-10(18(20)21)8-12(11)22-13/h6-8,13-14H,9H2,1-5H3,(H,17,19).
What are the key properties of CID 70102370?
CID 70102370 has a molecular weight of 351.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70102370 is sourced from PubChem (CID 70102370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).