(E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium

C16H30NO2Y- — CID 58604716

IUPAC(E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium
SMILES[CH2-]/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)C(C)C)N(C)C(C)C.[Y]
InChIInChI=1S/C16H30NO2.Y/c1-8-9-10-13(6)16(19)14(15(18)11(2)3)17(7)12(4)5;/h8-9,11-14,16,19H,1,10H2,2-7H3;/q-1;/b9-8+;/t13-,14-,16-;/m1./s1
InChIKeyORYQGEDNWBUTAV-NXCHBDRQSA-N
MW357.33 g/mol
LogP2.70
Rot. Bonds8

About (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium

(E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium (PubChem CID 58604716) has the molecular formula C16H30NO2Y- and a molecular weight of 357.33 g/mol. Its IUPAC name is (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium.

Molecular Properties

Compound Name(E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium
PubChem CID58604716
Molecular FormulaC16H30NO2Y-
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name(E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium
SMILES[CH2-]/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)C(C)C)N(C)C(C)C.[Y]
InChIInChI=1S/C16H30NO2.Y/c1-8-9-10-13(6)16(19)14(15(18)11(2)3)17(7)12(4)5;/h8-9,11-14,16,19H,1,10H2,2-7H3;/q-1;/b9-8+;/t13-,14-,16-;/m1./s1
InChIKeyORYQGEDNWBUTAV-NXCHBDRQSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium with MolForge

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Related Compounds

(4S,5R,6R,7E,9E)-11,11,11-trifluoro-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]undeca-7,9-dien-3-one
CID 57682407
4-Methyl-4-[(E)-2-butenyl]-4,N-dimethyl-threonine
CID 5289446
actinium;(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one
CID 20675799
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
(E,4R,5R,6S)-5-hydroxy-4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-2-enenitrile
CID 57682362
(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

Frequently Asked Questions

What is the IUPAC name of (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium?
The IUPAC name of (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium (CID 58604716) is (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium.
What is the SMILES notation for (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium?
The canonical SMILES for (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium is [CH2-]/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)C(C)C)N(C)C(C)C.[Y].
What is the InChIKey of (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium?
The InChIKey is ORYQGEDNWBUTAV-NXCHBDRQSA-N. The full InChI is InChI=1S/C16H30NO2.Y/c1-8-9-10-13(6)16(19)14(15(18)11(2)3)17(7)12(4)5;/h8-9,11-14,16,19H,1,10H2,2-7H3;/q-1;/b9-8+;/t13-,14-,16-;/m1./s1.
What are the key properties of (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium?
(E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium has a molecular weight of 357.33 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5R,6R)-5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one;yttrium is sourced from PubChem (CID 58604716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).