6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium

C15H24O4Y-2 — CID 148712113

IUPAC6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium
SMILESC=C(C)C(=O)CCCOCCOC[CH2-].C=C(C)[C-]=O.[Y]
InChIInChI=1S/C11H19O3.C4H5O.Y/c1-4-13-8-9-14-7-5-6-11(12)10(2)3;1-4(2)3-5;/h1-2,4-9H2,3H3;1H2,2H3;/q2*-1;
InChIKeyFVICPZXBRUUMGM-UHFFFAOYSA-N
MW357.26 g/mol
LogP2.45
Rot. Bonds10

About 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium

6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium (PubChem CID 148712113) has the molecular formula C15H24O4Y-2 and a molecular weight of 357.26 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium
PubChem CID148712113
Molecular FormulaC15H24O4Y-2
Molecular Weight357.26 g/mol
Exact Mass357.07
IUPAC Name6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium
SMILESC=C(C)C(=O)CCCOCCOC[CH2-].C=C(C)[C-]=O.[Y]
InChIInChI=1S/C11H19O3.C4H5O.Y/c1-4-13-8-9-14-7-5-6-11(12)10(2)3;1-4(2)3-5;/h1-2,4-9H2,3H3;1H2,2H3;/q2*-1;
InChIKeyFVICPZXBRUUMGM-UHFFFAOYSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl (5-methyl-4-oxohex-5-enyl) silicate
CID 14367926
2-Methyl-6-propan-2-yloxyhex-1-en-3-one
CID 58298905
2-Methyl-6-(oxolan-2-ylmethoxy)hex-1-en-3-one
CID 59941222
6-Methoxy-2-methylhex-1-en-3-one
CID 79191134
Triethyl (5-methyl-4-oxohex-5-enyl) silicate
CID 88087515
2-Methyl-6-(5-methyl-4-oxohex-5-enoxy)hex-1-en-3-one
CID 88591198
2-[2-(5-Methyl-4-oxohex-5-enoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 89346761
6-(4-Ethoxybutoxy)-2-methylhex-1-en-3-one
CID 90322757
4-Methylidene-6-propoxyhexan-3-one
CID 90818804
7-(2-Methoxyethoxy)-2-methylhept-1-en-3-one
CID 118214466
6-Methoxy-2-methyl-4-methylidenehex-1-en-3-one
CID 122610039
2-Methyl-6-[2-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxy]ethoxy]hex-1-en-3-one
CID 130394473

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium?
The IUPAC name of 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium (CID 148712113) is 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium.
What is the SMILES notation for 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium?
The canonical SMILES for 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium is C=C(C)C(=O)CCCOCCOC[CH2-].C=C(C)[C-]=O.[Y].
What is the InChIKey of 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium?
The InChIKey is FVICPZXBRUUMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O3.C4H5O.Y/c1-4-13-8-9-14-7-5-6-11(12)10(2)3;1-4(2)3-5;/h1-2,4-9H2,3H3;1H2,2H3;/q2*-1;.
What are the key properties of 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium?
6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium has a molecular weight of 357.26 g/mol, XLogP of 2.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-2-methylhex-1-en-3-one;2-methylprop-2-en-1-one;yttrium is sourced from PubChem (CID 148712113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).