CID 70102641

C16H23N2O5Si — CID 70102641

IUPAC—
SMILESC[Si](C)OC(CC(C)(C)C)C1Oc2ccc([N+](=O)[O-])cc2NC1=O
InChIInChI=1S/C16H23N2O5Si/c1-16(2,3)9-13(23-24(4)5)14-15(19)17-11-8-10(18(20)21)6-7-12(11)22-14/h6-8,13-14H,9H2,1-5H3,(H,17,19)
InChIKeyQETBKBQOSTXMLV-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.37
Rot. Bonds5

About CID 70102641

CID 70102641 (PubChem CID 70102641) has the molecular formula C16H23N2O5Si and a molecular weight of 351.46 g/mol.

Molecular Properties

Compound NameCID 70102641
PubChem CID70102641
Molecular FormulaC16H23N2O5Si
Molecular Weight351.46 g/mol
Exact Mass351.14
IUPAC Name—
SMILESC[Si](C)OC(CC(C)(C)C)C1Oc2ccc([N+](=O)[O-])cc2NC1=O
InChIInChI=1S/C16H23N2O5Si/c1-16(2,3)9-13(23-24(4)5)14-15(19)17-11-8-10(18(20)21)6-7-12(11)22-14/h6-8,13-14H,9H2,1-5H3,(H,17,19)
InChIKeyQETBKBQOSTXMLV-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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Related Compounds

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2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)-6-nitro-4H-1,4-benzoxazin-3-one
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2,2-dimethyl-6-nitro-4H-1,4-benzoxazine-3-thione
CID 59410527
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2,2-bis(difluoromethyl)-6-nitro-4H-1,4-benzoxazin-3-one
CID 21462586
2-ethyl-7-nitro-4H-1,4-benzoxazine-3-thione
CID 22623059

Frequently Asked Questions

What is the IUPAC name of CID 70102641?
The IUPAC name of CID 70102641 (CID 70102641) is not available.
What is the SMILES notation for CID 70102641?
The canonical SMILES for CID 70102641 is C[Si](C)OC(CC(C)(C)C)C1Oc2ccc([N+](=O)[O-])cc2NC1=O.
What is the InChIKey of CID 70102641?
The InChIKey is QETBKBQOSTXMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2O5Si/c1-16(2,3)9-13(23-24(4)5)14-15(19)17-11-8-10(18(20)21)6-7-12(11)22-14/h6-8,13-14H,9H2,1-5H3,(H,17,19).
What are the key properties of CID 70102641?
CID 70102641 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 70102641 is sourced from PubChem (CID 70102641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).