decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one

C68H139NO10 — CID 163571556

IUPACdecan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
SMILESCCCCCCCC(=O)CC.CCCCCCCCC(=O)CC.CCCCCCCCCCC.CCCCCCCCCCC(=O)CC.CCCOCCOCCCC(=O)CC.CCCOCCOCCOCCNC(=O)CC
InChIInChI=1S/C13H26O.C12H25NO4.C11H22O3.C11H22O.C11H24.C10H20O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2;1-3-6-15-8-10-17-11-9-16-7-5-13-12(14)4-2;1-3-7-13-9-10-14-8-5-6-11(12)4-2;1-3-5-6-7-8-9-10-11(12)4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-6-7-8-9-10(11)4-2/h3-12H2,1-2H3;3-11H2,1-2H3,(H,13,14);3-10H2,1-2H3;3-10H2,1-2H3;3-11H2,1-2H3;3-9H2,1-2H3
InChIKeyFZTMUEAPFNFXFU-UHFFFAOYSA-N
MW1130.86 g/mol
LogP19.24
Rot. Bonds55

About decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one

decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one (PubChem CID 163571556) has the molecular formula C68H139NO10 and a molecular weight of 1130.86 g/mol. Its IUPAC name is decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one.

Molecular Properties

Compound Namedecan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
PubChem CID163571556
Molecular FormulaC68H139NO10
Molecular Weight1130.86 g/mol
Exact Mass1130.04
IUPAC Namedecan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
SMILESCCCCCCCC(=O)CC.CCCCCCCCC(=O)CC.CCCCCCCCCCC.CCCCCCCCCCC(=O)CC.CCCOCCOCCCC(=O)CC.CCCOCCOCCOCCNC(=O)CC
InChIInChI=1S/C13H26O.C12H25NO4.C11H22O3.C11H22O.C11H24.C10H20O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2;1-3-6-15-8-10-17-11-9-16-7-5-13-12(14)4-2;1-3-7-13-9-10-14-8-5-6-11(12)4-2;1-3-5-6-7-8-9-10-11(12)4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-6-7-8-9-10(11)4-2/h3-12H2,1-2H3;3-11H2,1-2H3,(H,13,14);3-10H2,1-2H3;3-10H2,1-2H3;3-11H2,1-2H3;3-9H2,1-2H3
InChIKeyFZTMUEAPFNFXFU-UHFFFAOYSA-N
XLogP19.24
TPSA143.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds55
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.86
LogP ≤ 519.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
N-(6-oxooctyl)-4-propoxybutanamide
CID 170362710
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977
1-propoxyhenicosan-4-one
CID 157232243
hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
CID 157129322
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
7-[2-(2-butoxyethoxy)ethoxy]heptan-3-one;N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide;N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide;N-ethyl-2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetamide;methane;bis(N-methyl-2-(2-propoxyethoxy)acetamide);tungsten
CID 159536331
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851

Frequently Asked Questions

What is the IUPAC name of decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one?
The IUPAC name of decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one (CID 163571556) is decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one.
What is the SMILES notation for decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one?
The canonical SMILES for decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one is CCCCCCCC(=O)CC.CCCCCCCCC(=O)CC.CCCCCCCCCCC.CCCCCCCCCCC(=O)CC.CCCOCCOCCCC(=O)CC.CCCOCCOCCOCCNC(=O)CC.
What is the InChIKey of decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one?
The InChIKey is FZTMUEAPFNFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C12H25NO4.C11H22O3.C11H22O.C11H24.C10H20O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2;1-3-6-15-8-10-17-11-9-16-7-5-13-12(14)4-2;1-3-7-13-9-10-14-8-5-6-11(12)4-2;1-3-5-6-7-8-9-10-11(12)4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-6-7-8-9-10(11)4-2/h3-12H2,1-2H3;3-11H2,1-2H3,(H,13,14);3-10H2,1-2H3;3-10H2,1-2H3;3-11H2,1-2H3;3-9H2,1-2H3.
What are the key properties of decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one?
decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one has a molecular weight of 1130.86 g/mol, XLogP of 19.24, 55 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one is sourced from PubChem (CID 163571556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).