CID 158925058

C12H24BN2O4 — CID 158925058

IUPAC—
SMILESCOCC1CN([B]N2CC(COC)OC2C)C(C)O1
InChIInChI=1S/C12H24BN2O4/c1-9-14(5-11(18-9)7-16-3)13-15-6-12(8-17-4)19-10(15)2/h9-12H,5-8H2,1-4H3
InChIKeyINUCDROTVFUEGP-UHFFFAOYSA-N
MW271.15 g/mol
LogP-0.09
Rot. Bonds6

About CID 158925058

CID 158925058 (PubChem CID 158925058) has the molecular formula C12H24BN2O4 and a molecular weight of 271.15 g/mol.

Molecular Properties

Compound NameCID 158925058
PubChem CID158925058
Molecular FormulaC12H24BN2O4
Molecular Weight271.15 g/mol
Exact Mass271.18
IUPAC Name—
SMILESCOCC1CN([B]N2CC(COC)OC2C)C(C)O1
InChIInChI=1S/C12H24BN2O4/c1-9-14(5-11(18-9)7-16-3)13-15-6-12(8-17-4)19-10(15)2/h9-12H,5-8H2,1-4H3
InChIKeyINUCDROTVFUEGP-UHFFFAOYSA-N
XLogP-0.09
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(methoxymethyl)oxolane
CID 57041378
(2S,6R)-2-(methoxymethyl)-6-methylmorpholine
CID 95252382
hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane
CID 159762198
diiodovanadium;2-(methoxymethyl)oxirane
CID 158509470
CID 20677838
CID 20677838
3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122066306
(2R)-2-(methoxymethyl)-4-methyl-6-[[(2S)-4-methylmorpholin-2-yl]methoxymethyl]morpholine
CID 170006848
3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 22013148
(2S,4R)-2-(methoxymethyl)-4-methyloxolane
CID 146559112
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-spiro[2.2]pentan-2-ylmethanone
CID 166238347
1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone
CID 128978793
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039

Frequently Asked Questions

What is the IUPAC name of CID 158925058?
The IUPAC name of CID 158925058 (CID 158925058) is not available.
What is the SMILES notation for CID 158925058?
The canonical SMILES for CID 158925058 is COCC1CN([B]N2CC(COC)OC2C)C(C)O1.
What is the InChIKey of CID 158925058?
The InChIKey is INUCDROTVFUEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BN2O4/c1-9-14(5-11(18-9)7-16-3)13-15-6-12(8-17-4)19-10(15)2/h9-12H,5-8H2,1-4H3.
What are the key properties of CID 158925058?
CID 158925058 has a molecular weight of 271.15 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158925058 is sourced from PubChem (CID 158925058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).