CID 59107462

C11H20BNO6 — CID 59107462

IUPAC—
SMILES[B]C(=O)NCCOCCOCCOC(=O)OCCC
InChIInChI=1S/C11H20BNO6/c1-2-4-18-11(15)19-9-8-17-7-6-16-5-3-13-10(12)14/h2-9H2,1H3,(H,13,14)
InChIKeyVCDDYRQGPUCHJZ-UHFFFAOYSA-N
MW273.09 g/mol
LogP0.46
Rot. Bonds11

About CID 59107462

CID 59107462 (PubChem CID 59107462) has the molecular formula C11H20BNO6 and a molecular weight of 273.09 g/mol.

Molecular Properties

Compound NameCID 59107462
PubChem CID59107462
Molecular FormulaC11H20BNO6
Molecular Weight273.09 g/mol
Exact Mass273.14
IUPAC Name—
SMILES[B]C(=O)NCCOCCOCCOC(=O)OCCC
InChIInChI=1S/C11H20BNO6/c1-2-4-18-11(15)19-9-8-17-7-6-16-5-3-13-10(12)14/h2-9H2,1H3,(H,13,14)
InChIKeyVCDDYRQGPUCHJZ-UHFFFAOYSA-N
XLogP0.46
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
bis(3-propoxypropyl) carbonate
CID 90300554

Frequently Asked Questions

What is the IUPAC name of CID 59107462?
The IUPAC name of CID 59107462 (CID 59107462) is not available.
What is the SMILES notation for CID 59107462?
The canonical SMILES for CID 59107462 is [B]C(=O)NCCOCCOCCOC(=O)OCCC.
What is the InChIKey of CID 59107462?
The InChIKey is VCDDYRQGPUCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO6/c1-2-4-18-11(15)19-9-8-17-7-6-16-5-3-13-10(12)14/h2-9H2,1H3,(H,13,14).
What are the key properties of CID 59107462?
CID 59107462 has a molecular weight of 273.09 g/mol, XLogP of 0.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59107462 is sourced from PubChem (CID 59107462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).