N,N-dimethylformamide;ethyl acetate;hexane

C13H29NO3 — CID 87063989

IUPACN,N-dimethylformamide;ethyl acetate;hexane
SMILESCCCCCC.CCOC(C)=O.CN(C)C=O
InChIInChI=1S/C6H14.C4H8O2.C3H7NO/c1-3-5-6-4-2;1-3-6-4(2)5;1-4(2)3-5/h3-6H2,1-2H3;3H2,1-2H3;3H,1-2H3
InChIKeyGYRHGJPSYMJRIV-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.86
Rot. Bonds5

About N,N-dimethylformamide;ethyl acetate;hexane

N,N-dimethylformamide;ethyl acetate;hexane (PubChem CID 87063989) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is N,N-dimethylformamide;ethyl acetate;hexane.

Molecular Properties

Compound NameN,N-dimethylformamide;ethyl acetate;hexane
PubChem CID87063989
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC NameN,N-dimethylformamide;ethyl acetate;hexane
SMILESCCCCCC.CCOC(C)=O.CN(C)C=O
InChIInChI=1S/C6H14.C4H8O2.C3H7NO/c1-3-5-6-4-2;1-3-6-4(2)5;1-4(2)3-5/h3-6H2,1-2H3;3H2,1-2H3;3H,1-2H3
InChIKeyGYRHGJPSYMJRIV-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl acetate;decakis(heptane)
CID 173339657
ethyl acetate;pentakis(heptane)
CID 173012961
dodecane;ethyl acetate
CID 173033257
ethyl acetate;(hexane)
CID 173056685
ethyl acetate;pentadecakis(hexane)
CID 173347874
ethyl acetate;decakis(hexane)
CID 173035239
dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane
CID 158969728
decyl acetate;ethyl acetate
CID 158679657
hexakis(dichloromethane);ethyl acetate;bis(hexane)
CID 173231857
ethanol;ethyl acetate;hexane;hydrate
CID 161182813
acetonitrile;ethyl acetate;heptane
CID 159862103
N,N-dimethylformamide;dodecane
CID 174900991

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;ethyl acetate;hexane?
The IUPAC name of N,N-dimethylformamide;ethyl acetate;hexane (CID 87063989) is N,N-dimethylformamide;ethyl acetate;hexane.
What is the SMILES notation for N,N-dimethylformamide;ethyl acetate;hexane?
The canonical SMILES for N,N-dimethylformamide;ethyl acetate;hexane is CCCCCC.CCOC(C)=O.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;ethyl acetate;hexane?
The InChIKey is GYRHGJPSYMJRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H8O2.C3H7NO/c1-3-5-6-4-2;1-3-6-4(2)5;1-4(2)3-5/h3-6H2,1-2H3;3H2,1-2H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;ethyl acetate;hexane?
N,N-dimethylformamide;ethyl acetate;hexane has a molecular weight of 247.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;ethyl acetate;hexane is sourced from PubChem (CID 87063989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).