nonyl 3-hydroxypropanoate

C12H24O3 — CID 139821975

IUPACnonyl 3-hydroxypropanoate
SMILESCCCCCCCCCOC(=O)CCO
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-11-15-12(14)9-10-13/h13H,2-11H2,1H3
InChIKeyCLJKZJZFCFUKGC-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.66
Rot. Bonds10

About nonyl 3-hydroxypropanoate

nonyl 3-hydroxypropanoate (PubChem CID 139821975) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is nonyl 3-hydroxypropanoate.

Molecular Properties

Compound Namenonyl 3-hydroxypropanoate
PubChem CID139821975
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namenonyl 3-hydroxypropanoate
SMILESCCCCCCCCCOC(=O)CCO
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-11-15-12(14)9-10-13/h13H,2-11H2,1H3
InChIKeyCLJKZJZFCFUKGC-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl 4-hydroxybutanoate
CID 14997818
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
1-O-decyl 5-O-(4-hydroxybutyl) pentanedioate
CID 71420059
34-hydroxytetratriacontyl dodecanoate
CID 166097619
12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629
6-hydroxyhexyl octanoate
CID 23036666
9-hydroxynonyl nonanoate
CID 171474972
16-hydroxyhexadecyl dodecanoate
CID 166098146
12-hydroxydodecyl icosanoate
CID 170849788

Frequently Asked Questions

What is the IUPAC name of nonyl 3-hydroxypropanoate?
The IUPAC name of nonyl 3-hydroxypropanoate (CID 139821975) is nonyl 3-hydroxypropanoate.
What is the SMILES notation for nonyl 3-hydroxypropanoate?
The canonical SMILES for nonyl 3-hydroxypropanoate is CCCCCCCCCOC(=O)CCO.
What is the InChIKey of nonyl 3-hydroxypropanoate?
The InChIKey is CLJKZJZFCFUKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-11-15-12(14)9-10-13/h13H,2-11H2,1H3.
What are the key properties of nonyl 3-hydroxypropanoate?
nonyl 3-hydroxypropanoate has a molecular weight of 216.32 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 3-hydroxypropanoate is sourced from PubChem (CID 139821975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).