butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate

C14H24O5 — CID 22761333

IUPACbutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCO
InChIInChI=1S/C8H14O2.C6H10O3/c1-4-5-6-10-8(9)7(2)3;1-5(2)6(8)9-4-3-7/h2,4-6H2,1,3H3;7H,1,3-4H2,2H3
InChIKeyAHZHXMSESKAESX-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.00
Rot. Bonds7

About butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 22761333) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID22761333
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namebutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCO
InChIInChI=1S/C8H14O2.C6H10O3/c1-4-5-6-10-8(9)7(2)3;1-5(2)6(8)9-4-3-7/h2,4-6H2,1,3H3;7H,1,3-4H2,2H3
InChIKeyAHZHXMSESKAESX-UHFFFAOYSA-N
XLogP2.00
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate (CID 22761333) is butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCO.
What is the InChIKey of butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is AHZHXMSESKAESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H10O3/c1-4-5-6-10-8(9)7(2)3;1-5(2)6(8)9-4-3-7/h2,4-6H2,1,3H3;7H,1,3-4H2,2H3.
What are the key properties of butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 272.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22761333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).