N,N-dimethylformamide;dioctyl decanedioate

C29H57NO5 — CID 174937904

IUPACN,N-dimethylformamide;dioctyl decanedioate
SMILESCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC.CN(C)C=O
InChIInChI=1S/C26H50O4.C3H7NO/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2;1-4(2)3-5/h3-24H2,1-2H3;3H,1-2H3
InChIKeyDXUTVYXRHJYHBS-UHFFFAOYSA-N
MW499.78 g/mol
LogP7.62
Rot. Bonds24

About N,N-dimethylformamide;dioctyl decanedioate

N,N-dimethylformamide;dioctyl decanedioate (PubChem CID 174937904) has the molecular formula C29H57NO5 and a molecular weight of 499.78 g/mol. Its IUPAC name is N,N-dimethylformamide;dioctyl decanedioate.

Molecular Properties

Compound NameN,N-dimethylformamide;dioctyl decanedioate
PubChem CID174937904
Molecular FormulaC29H57NO5
Molecular Weight499.78 g/mol
Exact Mass499.42
IUPAC NameN,N-dimethylformamide;dioctyl decanedioate
SMILESCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC.CN(C)C=O
InChIInChI=1S/C26H50O4.C3H7NO/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2;1-4(2)3-5/h3-24H2,1-2H3;3H,1-2H3
InChIKeyDXUTVYXRHJYHBS-UHFFFAOYSA-N
XLogP7.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.78
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836
hexadecyl dotriacontanoate
CID 71587965
dioctyl hexanedioate
CID 161382548
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181696
diheptyl octadecanedioate
CID 87117426

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;dioctyl decanedioate?
The IUPAC name of N,N-dimethylformamide;dioctyl decanedioate (CID 174937904) is N,N-dimethylformamide;dioctyl decanedioate.
What is the SMILES notation for N,N-dimethylformamide;dioctyl decanedioate?
The canonical SMILES for N,N-dimethylformamide;dioctyl decanedioate is CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;dioctyl decanedioate?
The InChIKey is DXUTVYXRHJYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O4.C3H7NO/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2;1-4(2)3-5/h3-24H2,1-2H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;dioctyl decanedioate?
N,N-dimethylformamide;dioctyl decanedioate has a molecular weight of 499.78 g/mol, XLogP of 7.62, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;dioctyl decanedioate is sourced from PubChem (CID 174937904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).