2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid

C11H20O3 — CID 88652723

IUPAC2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid
SMILESC=CCC(CCO)(CCCC)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-5-7-11(6-4-2,8-9-12)10(13)14/h4,12H,2-3,5-9H2,1H3,(H,13,14)
InChIKeySPEVZSVUBYAYTE-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.21
Rot. Bonds8

About 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid

2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid (PubChem CID 88652723) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid
PubChem CID88652723
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid
SMILESC=CCC(CCO)(CCCC)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-5-7-11(6-4-2,8-9-12)10(13)14/h4,12H,2-3,5-9H2,1H3,(H,13,14)
InChIKeySPEVZSVUBYAYTE-UHFFFAOYSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid?
The IUPAC name of 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid (CID 88652723) is 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid?
The canonical SMILES for 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid is C=CCC(CCO)(CCCC)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid?
The InChIKey is SPEVZSVUBYAYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-7-11(6-4-2,8-9-12)10(13)14/h4,12H,2-3,5-9H2,1H3,(H,13,14).
What are the key properties of 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid?
2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-2-prop-2-enylhexanoic acid is sourced from PubChem (CID 88652723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).