decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate

C30H64ClNO6 — CID 162190826

IUPACdecanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate
SMILESCCCCCCCCCC(=O)Cl.CCCCCCCCCC(=O)OCCO.CCN(CC)CC.OCCO
InChIInChI=1S/C12H24O3.C10H19ClO.C6H15N.C2H6O2/c1-2-3-4-5-6-7-8-9-12(14)15-11-10-13;1-2-3-4-5-6-7-8-9-10(11)12;1-4-7(5-2)6-3;3-1-2-4/h13H,2-11H2,1H3;2-9H2,1H3;4-6H2,1-3H3;3-4H,1-2H2
InChIKeyZQGVBDXXFHXCPK-UHFFFAOYSA-N
MW570.30 g/mol
LogP6.87
Rot. Bonds22

About decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate

decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate (PubChem CID 162190826) has the molecular formula C30H64ClNO6 and a molecular weight of 570.30 g/mol. Its IUPAC name is decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate.

Molecular Properties

Compound Namedecanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate
PubChem CID162190826
Molecular FormulaC30H64ClNO6
Molecular Weight570.30 g/mol
Exact Mass569.44
IUPAC Namedecanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate
SMILESCCCCCCCCCC(=O)Cl.CCCCCCCCCC(=O)OCCO.CCN(CC)CC.OCCO
InChIInChI=1S/C12H24O3.C10H19ClO.C6H15N.C2H6O2/c1-2-3-4-5-6-7-8-9-12(14)15-11-10-13;1-2-3-4-5-6-7-8-9-10(11)12;1-4-7(5-2)6-3;3-1-2-4/h13H,2-11H2,1H3;2-9H2,1H3;4-6H2,1-3H3;3-4H,1-2H2
InChIKeyZQGVBDXXFHXCPK-UHFFFAOYSA-N
XLogP6.87
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.30
LogP ≤ 56.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-hydroxyethyl hexadecanoate
CID 87221064
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
butyl 9-chloro-9-oxononanoate
CID 11043595
ethane-1,2-diol;propyl octadecanoate
CID 87479973
ethoxyethane;2-hydroxyethyl dodecanoate
CID 87130982
ethoxyethane;2-hydroxyethyl docosanoate
CID 121301688
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
3-(diethylamino)propyl octadecanoate
CID 139896219
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
bis(2-hydroxyethyl) heptanedioate
CID 58519890

Frequently Asked Questions

What is the IUPAC name of decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate?
The IUPAC name of decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate (CID 162190826) is decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate.
What is the SMILES notation for decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate?
The canonical SMILES for decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate is CCCCCCCCCC(=O)Cl.CCCCCCCCCC(=O)OCCO.CCN(CC)CC.OCCO.
What is the InChIKey of decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate?
The InChIKey is ZQGVBDXXFHXCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3.C10H19ClO.C6H15N.C2H6O2/c1-2-3-4-5-6-7-8-9-12(14)15-11-10-13;1-2-3-4-5-6-7-8-9-10(11)12;1-4-7(5-2)6-3;3-1-2-4/h13H,2-11H2,1H3;2-9H2,1H3;4-6H2,1-3H3;3-4H,1-2H2.
What are the key properties of decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate?
decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate has a molecular weight of 570.30 g/mol, XLogP of 6.87, 22 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for decanoyl chloride;N,N-diethylethanamine;ethane-1,2-diol;2-hydroxyethyl decanoate is sourced from PubChem (CID 162190826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).