1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane

C5H10ClNO5 — CID 59868655

IUPAC1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane
SMILESO=C(Cl)OCCCCO[NH+]([O-])O
InChIInChI=1S/C5H10ClNO5/c6-5(8)11-3-1-2-4-12-7(9)10/h7,9H,1-4H2
InChIKeyBWXYUWZKTVODFG-UHFFFAOYSA-N
MW199.59 g/mol
LogP-0.15
Rot. Bonds6

About 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane

1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane (PubChem CID 59868655) has the molecular formula C5H10ClNO5 and a molecular weight of 199.59 g/mol. Its IUPAC name is 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane.

Molecular Properties

Compound Name1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane
PubChem CID59868655
Molecular FormulaC5H10ClNO5
Molecular Weight199.59 g/mol
Exact Mass199.02
IUPAC Name1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane
SMILESO=C(Cl)OCCCCO[NH+]([O-])O
InChIInChI=1S/C5H10ClNO5/c6-5(8)11-3-1-2-4-12-7(9)10/h7,9H,1-4H2
InChIKeyBWXYUWZKTVODFG-UHFFFAOYSA-N
XLogP-0.15
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

nonadecyl carbonochloridate
CID 20513602
henicosyl carbonochloridate
CID 14150828
4-(dihydroxyamino)oxybutyl carbonochloridate
CID 89030759
hexadec-15-enyl carbonochloridate
CID 139984771
3-methylsulfanylpropyl carbonochloridate
CID 131162279
3-butoxypropyl carbonochloridate
CID 139806426
2-fluoroethyl carbonochloridate
CID 10017
2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate
CID 87769608
dilithium;4-carboxylatooxybutyl carbonate
CID 101151816
4-[di(propan-2-yl)amino]butyl carbonochloridate;formic acid
CID 159687836
14-propanoyloxytetradecyl propanoate
CID 100931915
6-carboxyoxyhexyl hydrogen carbonate
CID 10420507

Frequently Asked Questions

What is the IUPAC name of 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane?
The IUPAC name of 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane (CID 59868655) is 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane.
What is the SMILES notation for 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane?
The canonical SMILES for 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane is O=C(Cl)OCCCCO[NH+]([O-])O.
What is the InChIKey of 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane?
The InChIKey is BWXYUWZKTVODFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO5/c6-5(8)11-3-1-2-4-12-7(9)10/h7,9H,1-4H2.
What are the key properties of 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane?
1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane has a molecular weight of 199.59 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane is sourced from PubChem (CID 59868655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).