2-(3-nitrosobut-3-enoxy)ethanol

C6H11NO3 — CID 166795800

IUPAC2-(3-nitrosobut-3-enoxy)ethanol
SMILESC=C(CCOCCO)N=O
InChIInChI=1S/C6H11NO3/c1-6(7-9)2-4-10-5-3-8/h8H,1-5H2
InChIKeyHCMMXUSFJPIMOG-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.67
Rot. Bonds6

About 2-(3-nitrosobut-3-enoxy)ethanol

2-(3-nitrosobut-3-enoxy)ethanol (PubChem CID 166795800) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(3-nitrosobut-3-enoxy)ethanol.

Molecular Properties

Compound Name2-(3-nitrosobut-3-enoxy)ethanol
PubChem CID166795800
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(3-nitrosobut-3-enoxy)ethanol
SMILESC=C(CCOCCO)N=O
InChIInChI=1S/C6H11NO3/c1-6(7-9)2-4-10-5-3-8/h8H,1-5H2
InChIKeyHCMMXUSFJPIMOG-UHFFFAOYSA-N
XLogP0.67
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol
CID 87460591
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
CID 172913435
CID 172913435
magnesium;hydride;2-(2-hydroxyethoxy)ethanol
CID 175108032
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tetrakis(2-methylprop-2-enoic acid)
CID 173364076
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88625291
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88626217
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87059902

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrosobut-3-enoxy)ethanol?
The IUPAC name of 2-(3-nitrosobut-3-enoxy)ethanol (CID 166795800) is 2-(3-nitrosobut-3-enoxy)ethanol.
What is the SMILES notation for 2-(3-nitrosobut-3-enoxy)ethanol?
The canonical SMILES for 2-(3-nitrosobut-3-enoxy)ethanol is C=C(CCOCCO)N=O.
What is the InChIKey of 2-(3-nitrosobut-3-enoxy)ethanol?
The InChIKey is HCMMXUSFJPIMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(7-9)2-4-10-5-3-8/h8H,1-5H2.
What are the key properties of 2-(3-nitrosobut-3-enoxy)ethanol?
2-(3-nitrosobut-3-enoxy)ethanol has a molecular weight of 145.16 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrosobut-3-enoxy)ethanol is sourced from PubChem (CID 166795800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).