1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene

C13H19NO5 — CID 91111576

IUPAC1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene
SMILESCOCCOc1ccc(CN=O)cc1OCCOC
InChIInChI=1S/C13H19NO5/c1-16-5-7-18-12-4-3-11(10-14-15)9-13(12)19-8-6-17-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGCOADUJBMUCUDS-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds10

About 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene

1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene (PubChem CID 91111576) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene
PubChem CID91111576
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene
SMILESCOCCOc1ccc(CN=O)cc1OCCOC
InChIInChI=1S/C13H19NO5/c1-16-5-7-18-12-4-3-11(10-14-15)9-13(12)19-8-6-17-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGCOADUJBMUCUDS-UHFFFAOYSA-N
XLogP2.00
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene?
The IUPAC name of 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene (CID 91111576) is 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene.
What is the SMILES notation for 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene?
The canonical SMILES for 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene is COCCOc1ccc(CN=O)cc1OCCOC.
What is the InChIKey of 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene?
The InChIKey is GCOADUJBMUCUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-16-5-7-18-12-4-3-11(10-14-15)9-13(12)19-8-6-17-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene?
1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene has a molecular weight of 269.30 g/mol, XLogP of 2.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methoxyethoxy)-4-(nitrosomethyl)benzene is sourced from PubChem (CID 91111576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).