10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid

C18H30O8 — CID 87661283

IUPAC10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid
SMILESCCC(=O)OCOC(=O)C(CCCCCCCC(=O)O)COC(=O)CC
InChIInChI=1S/C18H30O8/c1-3-16(21)24-12-14(18(23)26-13-25-17(22)4-2)10-8-6-5-7-9-11-15(19)20/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyAVMWMOKGCZMOSF-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.83
Rot. Bonds15

About 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid

10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid (PubChem CID 87661283) has the molecular formula C18H30O8 and a molecular weight of 374.43 g/mol. Its IUPAC name is 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid.

Molecular Properties

Compound Name10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid
PubChem CID87661283
Molecular FormulaC18H30O8
Molecular Weight374.43 g/mol
Exact Mass374.19
IUPAC Name10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid
SMILESCCC(=O)OCOC(=O)C(CCCCCCCC(=O)O)COC(=O)CC
InChIInChI=1S/C18H30O8/c1-3-16(21)24-12-14(18(23)26-13-25-17(22)4-2)10-8-6-5-7-9-11-15(19)20/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyAVMWMOKGCZMOSF-UHFFFAOYSA-N
XLogP2.83
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

11-(octadecanoyloxymethoxy)-10-(octadecanoyloxymethyl)-11-oxoundecanoic acid
CID 87662488
12-(acetyloxymethoxy)-11-(acetyloxymethyl)-12-oxododecanoic acid
CID 87662176
8-oxo-8-(propanoyloxymethoxy)octanoic acid
CID 151773737
10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid
CID 69022993
13-(dimethylamino)-11-[2-(dimethylamino)propoxycarbonyl]tetradecanoic acid
CID 88749272
10-oxo-10-(phenylmethoxycarbonyloxymethoxy)-9-(phenylmethoxycarbonyloxymethyl)decanoic acid
CID 69026786
bis(propanoyloxymethyl) heptanedioate
CID 90973893
11-octoxycarbonylheptadecanoic acid
CID 22496673
9-(2-hydroxypropoxycarbonyl)heptadecanoic acid
CID 18354793
bis(2-methylpropyl) hexanedioate;5-decoxycarbonylundecanoic acid
CID 175526469
8-(2-hexyloctoxy)-8-oxooctanoic acid
CID 177325930
hexadecanoic acid;2-hexyldecyl dodecanoate
CID 159959030

Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid?
The IUPAC name of 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid (CID 87661283) is 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid.
What is the SMILES notation for 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid?
The canonical SMILES for 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid is CCC(=O)OCOC(=O)C(CCCCCCCC(=O)O)COC(=O)CC.
What is the InChIKey of 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid?
The InChIKey is AVMWMOKGCZMOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O8/c1-3-16(21)24-12-14(18(23)26-13-25-17(22)4-2)10-8-6-5-7-9-11-15(19)20/h14H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid?
10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid has a molecular weight of 374.43 g/mol, XLogP of 2.83, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid is sourced from PubChem (CID 87661283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).