butyl 2-methylprop-2-enoate;cyclohexanone

C14H24O3 — CID 67714172

IUPACbutyl 2-methylprop-2-enoate;cyclohexanone
SMILESC=C(C)C(=O)OCCCC.O=C1CCCCC1
InChIInChI=1S/C8H14O2.C6H10O/c1-4-5-6-10-8(9)7(2)3;7-6-4-2-1-3-5-6/h2,4-6H2,1,3H3;1-5H2
InChIKeyZXCOHELXKZEBMD-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.43
Rot. Bonds4

About butyl 2-methylprop-2-enoate;cyclohexanone

butyl 2-methylprop-2-enoate;cyclohexanone (PubChem CID 67714172) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;cyclohexanone.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;cyclohexanone
PubChem CID67714172
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namebutyl 2-methylprop-2-enoate;cyclohexanone
SMILESC=C(C)C(=O)OCCCC.O=C1CCCCC1
InChIInChI=1S/C8H14O2.C6H10O/c1-4-5-6-10-8(9)7(2)3;7-6-4-2-1-3-5-6/h2,4-6H2,1,3H3;1-5H2
InChIKeyZXCOHELXKZEBMD-UHFFFAOYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;hexyl 2-methylprop-2-enoate
CID 19882000
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
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
octatetracontyl 2-methylprop-2-enoate
CID 141233444
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
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
methane;nonyl 2-methylprop-2-enoate
CID 174847930
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
benzene;pentyl 2-methylprop-2-enoate
CID 174465726

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;cyclohexanone?
The IUPAC name of butyl 2-methylprop-2-enoate;cyclohexanone (CID 67714172) is butyl 2-methylprop-2-enoate;cyclohexanone.
What is the SMILES notation for butyl 2-methylprop-2-enoate;cyclohexanone?
The canonical SMILES for butyl 2-methylprop-2-enoate;cyclohexanone is C=C(C)C(=O)OCCCC.O=C1CCCCC1.
What is the InChIKey of butyl 2-methylprop-2-enoate;cyclohexanone?
The InChIKey is ZXCOHELXKZEBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H10O/c1-4-5-6-10-8(9)7(2)3;7-6-4-2-1-3-5-6/h2,4-6H2,1,3H3;1-5H2.
What are the key properties of butyl 2-methylprop-2-enoate;cyclohexanone?
butyl 2-methylprop-2-enoate;cyclohexanone has a molecular weight of 240.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;cyclohexanone is sourced from PubChem (CID 67714172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).