butyl acetate;butyl butanoate;2-hydroxypropanoic acid

C17H34O7 — CID 174908523

IUPACbutyl acetate;butyl butanoate;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCCCOC(=O)CCC.CCCCOC(C)=O
InChIInChI=1S/C8H16O2.C6H12O2.C3H6O3/c1-3-5-7-10-8(9)6-4-2;1-3-4-5-8-6(2)7;1-2(4)3(5)6/h3-7H2,1-2H3;3-5H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeySUERDNAMPIZROH-UHFFFAOYSA-N
MW350.45 g/mol
LogP2.93
Rot. Bonds9

About butyl acetate;butyl butanoate;2-hydroxypropanoic acid

butyl acetate;butyl butanoate;2-hydroxypropanoic acid (PubChem CID 174908523) has the molecular formula C17H34O7 and a molecular weight of 350.45 g/mol. Its IUPAC name is butyl acetate;butyl butanoate;2-hydroxypropanoic acid.

Molecular Properties

Compound Namebutyl acetate;butyl butanoate;2-hydroxypropanoic acid
PubChem CID174908523
Molecular FormulaC17H34O7
Molecular Weight350.45 g/mol
Exact Mass350.23
IUPAC Namebutyl acetate;butyl butanoate;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCCCOC(=O)CCC.CCCCOC(C)=O
InChIInChI=1S/C8H16O2.C6H12O2.C3H6O3/c1-3-5-7-10-8(9)6-4-2;1-3-4-5-8-6(2)7;1-2(4)3(5)6/h3-7H2,1-2H3;3-5H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeySUERDNAMPIZROH-UHFFFAOYSA-N
XLogP2.93
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropanoic acid;tetradecyl tetradecanoate
CID 159813702
butyl butanoate;propane-1,2-diol
CID 159909381
acetic acid;butyl acetate
CID 158450873
butyl hexanoate;ethyl acetate
CID 160874959
butyl butanoate;hexanedioic acid
CID 175231996
butyl acetate;butyl propanoate
CID 146454532
5-butoxy-2-hydroxy-5-oxopentanoic acid
CID 174935037
pentyl butanoate
CID 10890
CID 159328585
CID 159328585
CID 159701402
CID 159701402
CID 87429945
CID 87429945
butyl (2S)-2-aminopropanoate;2-hydroxypropanoic acid
CID 87380952

Frequently Asked Questions

What is the IUPAC name of butyl acetate;butyl butanoate;2-hydroxypropanoic acid?
The IUPAC name of butyl acetate;butyl butanoate;2-hydroxypropanoic acid (CID 174908523) is butyl acetate;butyl butanoate;2-hydroxypropanoic acid.
What is the SMILES notation for butyl acetate;butyl butanoate;2-hydroxypropanoic acid?
The canonical SMILES for butyl acetate;butyl butanoate;2-hydroxypropanoic acid is CC(O)C(=O)O.CCCCOC(=O)CCC.CCCCOC(C)=O.
What is the InChIKey of butyl acetate;butyl butanoate;2-hydroxypropanoic acid?
The InChIKey is SUERDNAMPIZROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H12O2.C3H6O3/c1-3-5-7-10-8(9)6-4-2;1-3-4-5-8-6(2)7;1-2(4)3(5)6/h3-7H2,1-2H3;3-5H2,1-2H3;2,4H,1H3,(H,5,6).
What are the key properties of butyl acetate;butyl butanoate;2-hydroxypropanoic acid?
butyl acetate;butyl butanoate;2-hydroxypropanoic acid has a molecular weight of 350.45 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl acetate;butyl butanoate;2-hydroxypropanoic acid is sourced from PubChem (CID 174908523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).