butyl 2-methylprop-2-enoate;butyl prop-2-enoate

C15H26O4 — CID 18432088

IUPACbutyl 2-methylprop-2-enoate;butyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)OCCCC
InChIInChI=1S/C8H14O2.C7H12O2/c1-4-5-6-10-8(9)7(2)3;1-3-5-6-9-7(8)4-2/h2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3
InChIKeyVMRHCZNACCBXEJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.42
Rot. Bonds8

About butyl 2-methylprop-2-enoate;butyl prop-2-enoate

butyl 2-methylprop-2-enoate;butyl prop-2-enoate (PubChem CID 18432088) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;butyl prop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;butyl prop-2-enoate
PubChem CID18432088
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namebutyl 2-methylprop-2-enoate;butyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)OCCCC
InChIInChI=1S/C8H14O2.C7H12O2/c1-4-5-6-10-8(9)7(2)3;1-3-5-6-9-7(8)4-2/h2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3
InChIKeyVMRHCZNACCBXEJ-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;butyl prop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;butyl prop-2-enoate (CID 18432088) is butyl 2-methylprop-2-enoate;butyl prop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;butyl prop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;butyl prop-2-enoate is C=C(C)C(=O)OCCCC.C=CC(=O)OCCCC.
What is the InChIKey of butyl 2-methylprop-2-enoate;butyl prop-2-enoate?
The InChIKey is VMRHCZNACCBXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H12O2/c1-4-5-6-10-8(9)7(2)3;1-3-5-6-9-7(8)4-2/h2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3.
What are the key properties of butyl 2-methylprop-2-enoate;butyl prop-2-enoate?
butyl 2-methylprop-2-enoate;butyl prop-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;butyl prop-2-enoate is sourced from PubChem (CID 18432088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).