6-(dimethylamino)hexyl (E)-dec-2-enoate

C18H35NO2 — CID 86694798

IUPAC6-(dimethylamino)hexyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCCCCCN(C)C
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-9-12-15-18(20)21-17-14-11-10-13-16-19(2)3/h12,15H,4-11,13-14,16-17H2,1-3H3/b15-12+
InChIKeyUEKNIBZOWSCQMT-NTCAYCPXSA-N
MW297.48 g/mol
LogP4.57
Rot. Bonds14

About 6-(dimethylamino)hexyl (E)-dec-2-enoate

6-(dimethylamino)hexyl (E)-dec-2-enoate (PubChem CID 86694798) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 6-(dimethylamino)hexyl (E)-dec-2-enoate.

Molecular Properties

Compound Name6-(dimethylamino)hexyl (E)-dec-2-enoate
PubChem CID86694798
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name6-(dimethylamino)hexyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCCCCCN(C)C
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-9-12-15-18(20)21-17-14-11-10-13-16-19(2)3/h12,15H,4-11,13-14,16-17H2,1-3H3/b15-12+
InChIKeyUEKNIBZOWSCQMT-NTCAYCPXSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-(dimethylamino)hexyl (E)-dec-2-enoate?
The IUPAC name of 6-(dimethylamino)hexyl (E)-dec-2-enoate (CID 86694798) is 6-(dimethylamino)hexyl (E)-dec-2-enoate.
What is the SMILES notation for 6-(dimethylamino)hexyl (E)-dec-2-enoate?
The canonical SMILES for 6-(dimethylamino)hexyl (E)-dec-2-enoate is CCCCCCC/C=C/C(=O)OCCCCCCN(C)C.
What is the InChIKey of 6-(dimethylamino)hexyl (E)-dec-2-enoate?
The InChIKey is UEKNIBZOWSCQMT-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-5-6-7-8-9-12-15-18(20)21-17-14-11-10-13-16-19(2)3/h12,15H,4-11,13-14,16-17H2,1-3H3/b15-12+.
What are the key properties of 6-(dimethylamino)hexyl (E)-dec-2-enoate?
6-(dimethylamino)hexyl (E)-dec-2-enoate has a molecular weight of 297.48 g/mol, XLogP of 4.57, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexyl (E)-dec-2-enoate is sourced from PubChem (CID 86694798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).