2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate

C14H27NO3 — CID 10199028

IUPAC2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate
SMILESCN(C)CCOC(=O)/C=C/CCCCCCCO
InChIInChI=1S/C14H27NO3/c1-15(2)11-13-18-14(17)10-8-6-4-3-5-7-9-12-16/h8,10,16H,3-7,9,11-13H2,1-2H3/b10-8+
InChIKeyILJHOHNZUKDAJR-CSKARUKUSA-N
MW257.37 g/mol
LogP1.98
Rot. Bonds11

About 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate

2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate (PubChem CID 10199028) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate
PubChem CID10199028
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate
SMILESCN(C)CCOC(=O)/C=C/CCCCCCCO
InChIInChI=1S/C14H27NO3/c1-15(2)11-13-18-14(17)10-8-6-4-3-5-7-9-12-16/h8,10,16H,3-7,9,11-13H2,1-2H3/b10-8+
InChIKeyILJHOHNZUKDAJR-CSKARUKUSA-N
XLogP1.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate (CID 10199028) is 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate is CN(C)CCOC(=O)/C=C/CCCCCCCO.
What is the InChIKey of 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate?
The InChIKey is ILJHOHNZUKDAJR-CSKARUKUSA-N. The full InChI is InChI=1S/C14H27NO3/c1-15(2)11-13-18-14(17)10-8-6-4-3-5-7-9-12-16/h8,10,16H,3-7,9,11-13H2,1-2H3/b10-8+.
What are the key properties of 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate?
2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate has a molecular weight of 257.37 g/mol, XLogP of 1.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate is sourced from PubChem (CID 10199028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).