(2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate

C9H14O4 — CID 174425123

IUPAC(2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate
SMILESC=CCOC(OC(=O)C=C)C(C)O
InChIInChI=1S/C9H14O4/c1-4-6-12-9(7(3)10)13-8(11)5-2/h4-5,7,9-10H,1-2,6H2,3H3
InChIKeyGRSDMMINYVZHKX-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.63
Rot. Bonds6

About (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate

(2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate (PubChem CID 174425123) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate
PubChem CID174425123
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate
SMILESC=CCOC(OC(=O)C=C)C(C)O
InChIInChI=1S/C9H14O4/c1-4-6-12-9(7(3)10)13-8(11)5-2/h4-5,7,9-10H,1-2,6H2,3H3
InChIKeyGRSDMMINYVZHKX-UHFFFAOYSA-N
XLogP0.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate?
The IUPAC name of (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate (CID 174425123) is (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate.
What is the SMILES notation for (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate?
The canonical SMILES for (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate is C=CCOC(OC(=O)C=C)C(C)O.
What is the InChIKey of (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate?
The InChIKey is GRSDMMINYVZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-4-6-12-9(7(3)10)13-8(11)5-2/h4-5,7,9-10H,1-2,6H2,3H3.
What are the key properties of (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate?
(2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate has a molecular weight of 186.21 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate is sourced from PubChem (CID 174425123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).