1-acetyloxypropan-2-yl decanoate

C15H28O4 — CID 150997925

IUPAC1-acetyloxypropan-2-yl decanoate
SMILESCCCCCCCCCC(=O)OC(C)COC(C)=O
InChIInChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-11-15(17)19-13(2)12-18-14(3)16/h13H,4-12H2,1-3H3
InChIKeyLTMMSBPTKDPLFN-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.62
Rot. Bonds11

About 1-acetyloxypropan-2-yl decanoate

1-acetyloxypropan-2-yl decanoate (PubChem CID 150997925) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-acetyloxypropan-2-yl decanoate.

Molecular Properties

Compound Name1-acetyloxypropan-2-yl decanoate
PubChem CID150997925
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1-acetyloxypropan-2-yl decanoate
SMILESCCCCCCCCCC(=O)OC(C)COC(C)=O
InChIInChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-11-15(17)19-13(2)12-18-14(3)16/h13H,4-12H2,1-3H3
InChIKeyLTMMSBPTKDPLFN-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
[(2S)-1-propanoyloxypropan-2-yl] decanoate
CID 138105947
[(2S)-2-butanoyloxypropyl] hexadecanoate
CID 138105943
2-dodecanoyloxypropyl dodecanoate;ethane-1,2-diol
CID 87063295
2-acetyloxypropyl hexanoate
CID 130305079
1-(2-methylprop-2-enoyloxy)propan-2-yl docosanoate
CID 139616268
6-(1-dodecanoyloxypropan-2-yloxy)-6-oxohexanoic acid
CID 53316391
butane-1,4-diol;2-octanoyloxypropyl octanoate
CID 160752917

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxypropan-2-yl decanoate?
The IUPAC name of 1-acetyloxypropan-2-yl decanoate (CID 150997925) is 1-acetyloxypropan-2-yl decanoate.
What is the SMILES notation for 1-acetyloxypropan-2-yl decanoate?
The canonical SMILES for 1-acetyloxypropan-2-yl decanoate is CCCCCCCCCC(=O)OC(C)COC(C)=O.
What is the InChIKey of 1-acetyloxypropan-2-yl decanoate?
The InChIKey is LTMMSBPTKDPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-11-15(17)19-13(2)12-18-14(3)16/h13H,4-12H2,1-3H3.
What are the key properties of 1-acetyloxypropan-2-yl decanoate?
1-acetyloxypropan-2-yl decanoate has a molecular weight of 272.38 g/mol, XLogP of 3.62, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxypropan-2-yl decanoate is sourced from PubChem (CID 150997925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).