butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate

C19H34O4 — CID 175726078

IUPACbutyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)OCCCCCC(C)C
InChIInChI=1S/C11H20O2.C8H14O2/c1-4-11(12)13-9-7-5-6-8-10(2)3;1-4-5-6-10-8(9)7(2)3/h4,10H,1,5-9H2,2-3H3;2,4-6H2,1,3H3
InChIKeyVIBXHKBNMKFNNV-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.84
Rot. Bonds11

About butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate

butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate (PubChem CID 175726078) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate
PubChem CID175726078
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Namebutyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)OCCCCCC(C)C
InChIInChI=1S/C11H20O2.C8H14O2/c1-4-11(12)13-9-7-5-6-8-10(2)3;1-4-5-6-10-8(9)7(2)3/h4,10H,1,5-9H2,2-3H3;2,4-6H2,1,3H3
InChIKeyVIBXHKBNMKFNNV-UHFFFAOYSA-N
XLogP4.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.84
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;octadecyl prop-2-enoate
CID 87991734
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 172788583
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 161441199
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate (CID 175726078) is butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate is C=C(C)C(=O)OCCCC.C=CC(=O)OCCCCCC(C)C.
What is the InChIKey of butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate?
The InChIKey is VIBXHKBNMKFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C8H14O2/c1-4-11(12)13-9-7-5-6-8-10(2)3;1-4-5-6-10-8(9)7(2)3/h4,10H,1,5-9H2,2-3H3;2,4-6H2,1,3H3.
What are the key properties of butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate?
butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate has a molecular weight of 326.48 g/mol, XLogP of 4.84, 11 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;6-methylheptyl prop-2-enoate is sourced from PubChem (CID 175726078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).