2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate

C10H18O4 — CID 91611990

IUPAC2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCOCCCO
InChIInChI=1S/C10H18O4/c1-3-9(2)10(12)14-8-7-13-6-4-5-11/h3,11H,4-8H2,1-2H3
InChIKeyOUEBHHFIJCLWMW-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.89
Rot. Bonds7

About 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate

2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate (PubChem CID 91611990) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate.

Molecular Properties

Compound Name2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate
PubChem CID91611990
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCOCCCO
InChIInChI=1S/C10H18O4/c1-3-9(2)10(12)14-8-7-13-6-4-5-11/h3,11H,4-8H2,1-2H3
InChIKeyOUEBHHFIJCLWMW-UHFFFAOYSA-N
XLogP0.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
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

azane;3-hydroxypropyl 2-methylbut-2-enoate;hydrochloride
CID 173093194
2-[2-(2-fluorooxyethoxy)ethoxy]ethyl 2-methylbut-2-enoate
CID 173211401
2-(2-methylpropoxy)ethyl 2-methylbut-2-enoate
CID 174686626
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805
hydroxymethyl (E)-2-methylbut-2-enoate
CID 87487357
4-(3-hydroxypropoxy)butyl acetate
CID 19879655
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
undecyl (E)-2-methylbut-2-enoate
CID 91701896
2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
CID 174745947
3-hydroxypropyl 2-methylhex-2-enoate
CID 139671823
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate?
The IUPAC name of 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate (CID 91611990) is 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate.
What is the SMILES notation for 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate?
The canonical SMILES for 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate is CC=C(C)C(=O)OCCOCCCO.
What is the InChIKey of 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate?
The InChIKey is OUEBHHFIJCLWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-9(2)10(12)14-8-7-13-6-4-5-11/h3,11H,4-8H2,1-2H3.
What are the key properties of 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate?
2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropoxy)ethyl 2-methylbut-2-enoate is sourced from PubChem (CID 91611990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).