dodecyl 2-formyloxypentanoate

C18H34O4 — CID 90948969

IUPACdodecyl 2-formyloxypentanoate
SMILESCCCCCCCCCCCCOC(=O)C(CCC)OC=O
InChIInChI=1S/C18H34O4/c1-3-5-6-7-8-9-10-11-12-13-15-21-18(20)17(14-4-2)22-16-19/h16-17H,3-15H2,1-2H3
InChIKeyZHHOPNADAZWJRP-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.79
Rot. Bonds16

About dodecyl 2-formyloxypentanoate

dodecyl 2-formyloxypentanoate (PubChem CID 90948969) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is dodecyl 2-formyloxypentanoate.

Molecular Properties

Compound Namedodecyl 2-formyloxypentanoate
PubChem CID90948969
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Namedodecyl 2-formyloxypentanoate
SMILESCCCCCCCCCCCCOC(=O)C(CCC)OC=O
InChIInChI=1S/C18H34O4/c1-3-5-6-7-8-9-10-11-12-13-15-21-18(20)17(14-4-2)22-16-19/h16-17H,3-15H2,1-2H3
InChIKeyZHHOPNADAZWJRP-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

propan-2-yl 2-formyloxydodecanoate
CID 54456763
4-formyloxy-5-(5-formyloxypentoxy)-5-oxopentanoic acid
CID 87995383
heptyl (2R)-2-aminopentanoate
CID 107565724
heptyl 2-aminopentanoate
CID 61302463
tert-butyl (2R)-2-formyloxypentanoate
CID 91501739
nonyl 2-phosphanyloxyhexanoate
CID 19783950
octadecyl 2-phosphanyloxyhexanoate
CID 19783946
hexadecyl 2-acetyloxyhexadecanoate
CID 12071370
decyl 2-hexyltetradecanoate
CID 57466026
octadecyl 2-hydroxydocosanoate
CID 22753830
tridecyl 2-hexadecylicosanoate
CID 159510432
octacosyl 2-hydroxyoctadecanoate
CID 152554946

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-formyloxypentanoate?
The IUPAC name of dodecyl 2-formyloxypentanoate (CID 90948969) is dodecyl 2-formyloxypentanoate.
What is the SMILES notation for dodecyl 2-formyloxypentanoate?
The canonical SMILES for dodecyl 2-formyloxypentanoate is CCCCCCCCCCCCOC(=O)C(CCC)OC=O.
What is the InChIKey of dodecyl 2-formyloxypentanoate?
The InChIKey is ZHHOPNADAZWJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-3-5-6-7-8-9-10-11-12-13-15-21-18(20)17(14-4-2)22-16-19/h16-17H,3-15H2,1-2H3.
What are the key properties of dodecyl 2-formyloxypentanoate?
dodecyl 2-formyloxypentanoate has a molecular weight of 314.47 g/mol, XLogP of 4.79, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-formyloxypentanoate is sourced from PubChem (CID 90948969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).