3-methoxypropyl acetate;propan-2-one;yttrium

C9H16O4Y-2 — CID 58402462

IUPAC3-methoxypropyl acetate;propan-2-one;yttrium
SMILES[CH2-]C(=O)OCCCOC.[CH2-]C(C)=O.[Y]
InChIInChI=1S/C6H11O3.C3H5O.Y/c1-6(7)9-5-3-4-8-2;1-3(2)4;/h1,3-5H2,2H3;1H2,2H3;/q2*-1;
InChIKeyVSZJWIHRAUWGTQ-UHFFFAOYSA-N
MW277.13 g/mol
LogP0.81
Rot. Bonds4

About 3-methoxypropyl acetate;propan-2-one;yttrium

3-methoxypropyl acetate;propan-2-one;yttrium (PubChem CID 58402462) has the molecular formula C9H16O4Y-2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 3-methoxypropyl acetate;propan-2-one;yttrium.

Molecular Properties

Compound Name3-methoxypropyl acetate;propan-2-one;yttrium
PubChem CID58402462
Molecular FormulaC9H16O4Y-2
Molecular Weight277.13 g/mol
Exact Mass277.01
IUPAC Name3-methoxypropyl acetate;propan-2-one;yttrium
SMILES[CH2-]C(=O)OCCCOC.[CH2-]C(C)=O.[Y]
InChIInChI=1S/C6H11O3.C3H5O.Y/c1-6(7)9-5-3-4-8-2;1-3(2)4;/h1,3-5H2,2H3;1H2,2H3;/q2*-1;
InChIKeyVSZJWIHRAUWGTQ-UHFFFAOYSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 50.81
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'}

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Related Compounds

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bis(3-methoxypropyl) (Z)-but-2-enedioate
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1-O-[3-[(2R,3R)-4-[3-[(2R,3R)-2,3-dihydroxy-4-(3-methoxypropoxy)-4-oxobutanoyl]oxypropoxy]-2,3-dihydroxy-4-oxobutanoyl]oxypropyl] 4-O-(3-methoxypropyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101011423
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
butyl 3-methoxypropyl carbonate
CID 87247582
3-methoxypropyl 2-sulfanylpropanoate
CID 107018238
4-methoxybutanamide
CID 22414177
3-methoxypropyl 3-oxopropanoate
CID 144975882
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl acetate;propan-2-one;yttrium?
The IUPAC name of 3-methoxypropyl acetate;propan-2-one;yttrium (CID 58402462) is 3-methoxypropyl acetate;propan-2-one;yttrium.
What is the SMILES notation for 3-methoxypropyl acetate;propan-2-one;yttrium?
The canonical SMILES for 3-methoxypropyl acetate;propan-2-one;yttrium is [CH2-]C(=O)OCCCOC.[CH2-]C(C)=O.[Y].
What is the InChIKey of 3-methoxypropyl acetate;propan-2-one;yttrium?
The InChIKey is VSZJWIHRAUWGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3.C3H5O.Y/c1-6(7)9-5-3-4-8-2;1-3(2)4;/h1,3-5H2,2H3;1H2,2H3;/q2*-1;.
What are the key properties of 3-methoxypropyl acetate;propan-2-one;yttrium?
3-methoxypropyl acetate;propan-2-one;yttrium has a molecular weight of 277.13 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl acetate;propan-2-one;yttrium is sourced from PubChem (CID 58402462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).