2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate

C11H16O3 — CID 58535870

IUPAC2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=C)OCCOC(=O)C(=C)C
InChIInChI=1S/C11H16O3/c1-8(2)10(5)13-6-7-14-11(12)9(3)4/h1,3,5-7H2,2,4H3
InChIKeyYLKLIHSGDITPGB-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.21
Rot. Bonds6

About 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate

2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate (PubChem CID 58535870) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
PubChem CID58535870
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=C)OCCOC(=O)C(=C)C
InChIInChI=1S/C11H16O3/c1-8(2)10(5)13-6-7-14-11(12)9(3)4/h1,3,5-7H2,2,4H3
InChIKeyYLKLIHSGDITPGB-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 4-[4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phenyl]benzoate
CID 130395135
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate (CID 58535870) is 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=C)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is YLKLIHSGDITPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(2)10(5)13-6-7-14-11(12)9(3)4/h1,3,5-7H2,2,4H3.
What are the key properties of 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate?
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 196.25 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58535870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).