actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one

C18H35AcNO2 — CID 20675799

IUPACactinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one
SMILESC/C=C/CC(C)C(O)C(C(=O)C(C)(C)C)N(C)C(C)(C)C.[Ac]
InChIInChI=1S/C18H35NO2.Ac/c1-10-11-12-13(2)15(20)14(16(21)17(3,4)5)19(9)18(6,7)8;/h10-11,13-15,20H,12H2,1-9H3;/b11-10+;
InChIKeyRIMZIUHSRVCUIN-ASTDGNLGSA-N
MW524.48 g/mol
LogP3.66
Rot. Bonds6

About actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one

actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one (PubChem CID 20675799) has the molecular formula C18H35AcNO2 and a molecular weight of 524.48 g/mol. Its IUPAC name is actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one.

Molecular Properties

Compound Nameactinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one
PubChem CID20675799
Molecular FormulaC18H35AcNO2
Molecular Weight524.48 g/mol
Exact Mass524.29
IUPAC Nameactinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one
SMILESC/C=C/CC(C)C(O)C(C(=O)C(C)(C)C)N(C)C(C)(C)C.[Ac]
InChIInChI=1S/C18H35NO2.Ac/c1-10-11-12-13(2)15(20)14(16(21)17(3,4)5)19(9)18(6,7)8;/h10-11,13-15,20H,12H2,1-9H3;/b11-10+;
InChIKeyRIMZIUHSRVCUIN-ASTDGNLGSA-N
XLogP3.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

actinium;(E)-4-[tert-butyl(methyl)amino]-5,10-dihydroxy-2,2,6-trimethyldec-8-en-3-one
CID 20675840
actinium;(E)-10-bromo-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one
CID 20675841
(4S,5R,6R,7E)-5-hydroxy-2,6,10-trimethyl-4-[methyl(propan-2-yl)amino]undeca-7,9-dien-3-one
CID 57682360
(4S,5R,6R,7Z)-5-hydroxy-2,6,10-trimethyl-4-[methyl(propan-2-yl)amino]undeca-7,9-dien-3-one
CID 57682361
(Z,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-7-en-3-one
CID 57682369
(4S,5R,6R,7E,9E)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]undeca-7,9-dien-3-one
CID 57682376
(4S,5R,6R,9Z)-5-hydroxy-2,6,9-trimethyl-4-[methyl(propan-2-yl)amino]dodeca-9,11-dien-3-one
CID 57682378
(Z,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]non-7-en-3-one
CID 57682379
(4S,5R,6R)-5-hydroxy-2,6,9-trimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
CID 57682389
(Z,4S,5R,6R)-5-hydroxy-2,6,9-trimethyl-4-[methyl(propan-2-yl)amino]undec-9-en-3-one
CID 57682390
(Z,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]undec-7-en-3-one
CID 57682399
(4S,5R,6R,7E,9E)-10-cyclopentyl-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]deca-7,9-dien-3-one
CID 57682416

Frequently Asked Questions

What is the IUPAC name of actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one?
The IUPAC name of actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one (CID 20675799) is actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one.
What is the SMILES notation for actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one?
The canonical SMILES for actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one is C/C=C/CC(C)C(O)C(C(=O)C(C)(C)C)N(C)C(C)(C)C.[Ac].
What is the InChIKey of actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one?
The InChIKey is RIMZIUHSRVCUIN-ASTDGNLGSA-N. The full InChI is InChI=1S/C18H35NO2.Ac/c1-10-11-12-13(2)15(20)14(16(21)17(3,4)5)19(9)18(6,7)8;/h10-11,13-15,20H,12H2,1-9H3;/b11-10+;.
What are the key properties of actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one?
actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one has a molecular weight of 524.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one is sourced from PubChem (CID 20675799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).