2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate

C10H18O4 — CID 88762893

IUPAC2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OCCOCCO
InChIInChI=1S/C10H18O4/c1-8(2)9(3)10(12)14-7-6-13-5-4-11/h11H,4-7H2,1-3H3
InChIKeyRBEZRHJPYHNADB-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.89
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate

2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate (PubChem CID 88762893) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate
PubChem CID88762893
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OCCOCCO
InChIInChI=1S/C10H18O4/c1-8(2)9(3)10(12)14-7-6-13-5-4-11/h11H,4-7H2,1-3H3
InChIKeyRBEZRHJPYHNADB-UHFFFAOYSA-N
XLogP0.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate (CID 88762893) is 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate is CC(C)=C(C)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate?
The InChIKey is RBEZRHJPYHNADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-8(2)9(3)10(12)14-7-6-13-5-4-11/h11H,4-7H2,1-3H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate?
2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 88762893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).