4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol

C10H21NO4 — CID 175482734

IUPAC4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol
SMILESC=CN(OCCCCO)OCCCCO
InChIInChI=1S/C10H21NO4/c1-2-11(14-9-5-3-7-12)15-10-6-4-8-13/h2,12-13H,1,3-10H2
InChIKeyBKNLHNNNAOTYSC-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.84
Rot. Bonds11

About 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol

4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol (PubChem CID 175482734) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol.

Molecular Properties

Compound Name4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol
PubChem CID175482734
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol
SMILESC=CN(OCCCCO)OCCCCO
InChIInChI=1S/C10H21NO4/c1-2-11(14-9-5-3-7-12)15-10-6-4-8-13/h2,12-13H,1,3-10H2
InChIKeyBKNLHNNNAOTYSC-UHFFFAOYSA-N
XLogP0.84
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

14-ethenoxytetradecan-1-ol
CID 139931182
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
3-hydroxypropoxy(prop-2-enyl)borinic acid
CID 134964642
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
4-ethenoxybutan-1-ol;ethenoxyethane
CID 175259302
4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
CID 87183048
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
4-ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol
CID 88574268

Frequently Asked Questions

What is the IUPAC name of 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol?
The IUPAC name of 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol (CID 175482734) is 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol.
What is the SMILES notation for 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol?
The canonical SMILES for 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol is C=CN(OCCCCO)OCCCCO.
What is the InChIKey of 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol?
The InChIKey is BKNLHNNNAOTYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-2-11(14-9-5-3-7-12)15-10-6-4-8-13/h2,12-13H,1,3-10H2.
What are the key properties of 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol?
4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 0.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol is sourced from PubChem (CID 175482734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).