15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one

C25H47NO — CID 91464244

IUPAC15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one
SMILESCCN(CC)CCC(C)(C)CC(C)=CCC(C)(C)CC(C)=CCCC(C)=O
InChIInChI=1S/C25H47NO/c1-10-26(11-2)18-17-25(8,9)20-22(4)15-16-24(6,7)19-21(3)13-12-14-23(5)27/h13,15H,10-12,14,16-20H2,1-9H3
InChIKeyLYTSTWREDSAYMW-UHFFFAOYSA-N
MW377.66 g/mol
LogP7.20
Rot. Bonds14

About 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one

15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one (PubChem CID 91464244) has the molecular formula C25H47NO and a molecular weight of 377.66 g/mol. Its IUPAC name is 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one.

Molecular Properties

Compound Name15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one
PubChem CID91464244
Molecular FormulaC25H47NO
Molecular Weight377.66 g/mol
Exact Mass377.37
IUPAC Name15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one
SMILESCCN(CC)CCC(C)(C)CC(C)=CCC(C)(C)CC(C)=CCCC(C)=O
InChIInChI=1S/C25H47NO/c1-10-26(11-2)18-17-25(8,9)20-22(4)15-16-24(6,7)19-21(3)13-12-14-23(5)27/h13,15H,10-12,14,16-20H2,1-9H3
InChIKeyLYTSTWREDSAYMW-UHFFFAOYSA-N
XLogP7.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one?
The IUPAC name of 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one (CID 91464244) is 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one.
What is the SMILES notation for 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one?
The canonical SMILES for 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one is CCN(CC)CCC(C)(C)CC(C)=CCC(C)(C)CC(C)=CCCC(C)=O.
What is the InChIKey of 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one?
The InChIKey is LYTSTWREDSAYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO/c1-10-26(11-2)18-17-25(8,9)20-22(4)15-16-24(6,7)19-21(3)13-12-14-23(5)27/h13,15H,10-12,14,16-20H2,1-9H3.
What are the key properties of 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one?
15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one has a molecular weight of 377.66 g/mol, XLogP of 7.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(diethylamino)-6,8,8,11,13,13-hexamethylpentadeca-5,10-dien-2-one is sourced from PubChem (CID 91464244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).