butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate

C15H26O4 — CID 20503506

IUPACbutyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C.C=C(C)C(=O)OCCCC
InChIInChI=1S/C8H14O2.C7H12O2/c1-4-5-6-10-8(9)7(2)3;1-5(2)7(8)9-6(3)4/h2,4-6H2,1,3H3;6H,1H2,2-4H3
InChIKeyWRKJNNWQFZSTFZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.42
Rot. Bonds6

About butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate (PubChem CID 20503506) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
PubChem CID20503506
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namebutyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C.C=C(C)C(=O)OCCCC
InChIInChI=1S/C8H14O2.C7H12O2/c1-4-5-6-10-8(9)7(2)3;1-5(2)7(8)9-6(3)4/h2,4-6H2,1,3H3;6H,1H2,2-4H3
InChIKeyWRKJNNWQFZSTFZ-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate
CID 58027740
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
octatetracontyl 2-methylprop-2-enoate
CID 141233444
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate (CID 20503506) is butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C.C=C(C)C(=O)OCCCC.
What is the InChIKey of butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate?
The InChIKey is WRKJNNWQFZSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H12O2/c1-4-5-6-10-8(9)7(2)3;1-5(2)7(8)9-6(3)4/h2,4-6H2,1,3H3;6H,1H2,2-4H3.
What are the key properties of butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 3.42, 6 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;propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 20503506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).