propan-2-yl 2-formyloxydodecanoate

C16H30O4 — CID 54456763

IUPACpropan-2-yl 2-formyloxydodecanoate
SMILESCCCCCCCCCCC(OC=O)C(=O)OC(C)C
InChIInChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-12-15(19-13-17)16(18)20-14(2)3/h13-15H,4-12H2,1-3H3
InChIKeyGISQUVQUTGWFMG-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.01
Rot. Bonds13

About propan-2-yl 2-formyloxydodecanoate

propan-2-yl 2-formyloxydodecanoate (PubChem CID 54456763) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is propan-2-yl 2-formyloxydodecanoate.

Molecular Properties

Compound Namepropan-2-yl 2-formyloxydodecanoate
PubChem CID54456763
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Namepropan-2-yl 2-formyloxydodecanoate
SMILESCCCCCCCCCCC(OC=O)C(=O)OC(C)C
InChIInChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-12-15(19-13-17)16(18)20-14(2)3/h13-15H,4-12H2,1-3H3
InChIKeyGISQUVQUTGWFMG-UHFFFAOYSA-N
XLogP4.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.01
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

dipropan-2-yl 2-octylpropanedioate
CID 18370785
propan-2-yl 2-pentyloctanoate
CID 130235852
dodecyl 2-formyloxypentanoate
CID 90948969
propan-2-yl 2-propan-2-yldecanoate
CID 175067066
3-methylundecan-4-yl formate
CID 23187921
1-formyloxyethyl octanoate
CID 174953888
1-aminooctyl formate
CID 174824755
1-hydroxyoctyl formate
CID 54104225
octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
propan-2-yl 2-butanoyltetradecanoate
CID 118356607
bis(1-aminodecyl) oxalate
CID 174693733

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-formyloxydodecanoate?
The IUPAC name of propan-2-yl 2-formyloxydodecanoate (CID 54456763) is propan-2-yl 2-formyloxydodecanoate.
What is the SMILES notation for propan-2-yl 2-formyloxydodecanoate?
The canonical SMILES for propan-2-yl 2-formyloxydodecanoate is CCCCCCCCCCC(OC=O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-formyloxydodecanoate?
The InChIKey is GISQUVQUTGWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-12-15(19-13-17)16(18)20-14(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of propan-2-yl 2-formyloxydodecanoate?
propan-2-yl 2-formyloxydodecanoate has a molecular weight of 286.41 g/mol, XLogP of 4.01, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-formyloxydodecanoate is sourced from PubChem (CID 54456763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).