acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate

C11H21NO7 — CID 163370428

IUPACacetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate
SMILESCC(=O)OCCNC=O.CC(O)COC=O.CC=O
InChIInChI=1S/C5H9NO3.C4H8O3.C2H4O/c1-5(8)9-3-2-6-4-7;1-4(6)2-7-3-5;1-2-3/h4H,2-3H2,1H3,(H,6,7);3-4,6H,2H2,1H3;2H,1H3
InChIKeyKLXMTCSZUGGMEL-UHFFFAOYSA-N
MW279.29 g/mol
LogP-0.96
Rot. Bonds7

About acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate

acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate (PubChem CID 163370428) has the molecular formula C11H21NO7 and a molecular weight of 279.29 g/mol. Its IUPAC name is acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate.

Molecular Properties

Compound Nameacetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate
PubChem CID163370428
Molecular FormulaC11H21NO7
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Nameacetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate
SMILESCC(=O)OCCNC=O.CC(O)COC=O.CC=O
InChIInChI=1S/C5H9NO3.C4H8O3.C2H4O/c1-5(8)9-3-2-6-4-7;1-4(6)2-7-3-5;1-2-3/h4H,2-3H2,1H3,(H,6,7);3-4,6H,2H2,1H3;2H,1H3
InChIKeyKLXMTCSZUGGMEL-UHFFFAOYSA-N
XLogP-0.96
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropyl acetate;mercury
CID 174858394
acetaldehyde;ethyl acetate;3-methylbutyl acetate
CID 160802791
2-acetyloxyethyl-(formamidomethyl)-dimethylazanium
CID 142642957
5-formyloxypentyl acetate
CID 87520008
2-hydroxypropyl acetate;methoxyperoxymethane
CID 87580480
2,3-diformyloxypropyl acetate
CID 14344247
ethanol;2-hydroxypropyl acetate
CID 88717262
2-(acetyloxymethylamino)ethyl acetate
CID 87473445
2-formamidoethyl prop-2-enoate
CID 18401312
2-hydroxyethyl acetate;propane-1,2-diol
CID 158780453
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
[(2R)-2-formamido-4-methylpentyl] acetate
CID 45103886

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate?
The IUPAC name of acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate (CID 163370428) is acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate.
What is the SMILES notation for acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate?
The canonical SMILES for acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate is CC(=O)OCCNC=O.CC(O)COC=O.CC=O.
What is the InChIKey of acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate?
The InChIKey is KLXMTCSZUGGMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C4H8O3.C2H4O/c1-5(8)9-3-2-6-4-7;1-4(6)2-7-3-5;1-2-3/h4H,2-3H2,1H3,(H,6,7);3-4,6H,2H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate?
acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate has a molecular weight of 279.29 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate is sourced from PubChem (CID 163370428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).