2-(1-hydroxyethoxy)butyl prop-2-enoate

C9H16O4 — CID 142300979

IUPAC2-(1-hydroxyethoxy)butyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)OC(C)O
InChIInChI=1S/C9H16O4/c1-4-8(13-7(3)10)6-12-9(11)5-2/h5,7-8,10H,2,4,6H2,1,3H3
InChIKeyIJECDNSWJSXUMC-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.85
Rot. Bonds6

About 2-(1-hydroxyethoxy)butyl prop-2-enoate

2-(1-hydroxyethoxy)butyl prop-2-enoate (PubChem CID 142300979) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(1-hydroxyethoxy)butyl prop-2-enoate.

Molecular Properties

Compound Name2-(1-hydroxyethoxy)butyl prop-2-enoate
PubChem CID142300979
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(1-hydroxyethoxy)butyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)OC(C)O
InChIInChI=1S/C9H16O4/c1-4-8(13-7(3)10)6-12-9(11)5-2/h5,7-8,10H,2,4,6H2,1,3H3
InChIKeyIJECDNSWJSXUMC-UHFFFAOYSA-N
XLogP0.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.85
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
2-(1-prop-2-enoyloxybutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 140580314
[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 2-methylbutanoate
CID 58805573
4-methylhexyl prop-2-enoate
CID 58980362
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
(2-ethyl-3-oxobutyl) prop-2-enoate
CID 20778543
2-(1-hydroxyethyl)pentyl prop-2-enoate
CID 152751756
2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate
CID 138059610
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
2-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 141341823
4-oxo-4-(2-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 91078384
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethoxy)butyl prop-2-enoate?
The IUPAC name of 2-(1-hydroxyethoxy)butyl prop-2-enoate (CID 142300979) is 2-(1-hydroxyethoxy)butyl prop-2-enoate.
What is the SMILES notation for 2-(1-hydroxyethoxy)butyl prop-2-enoate?
The canonical SMILES for 2-(1-hydroxyethoxy)butyl prop-2-enoate is C=CC(=O)OCC(CC)OC(C)O.
What is the InChIKey of 2-(1-hydroxyethoxy)butyl prop-2-enoate?
The InChIKey is IJECDNSWJSXUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-8(13-7(3)10)6-12-9(11)5-2/h5,7-8,10H,2,4,6H2,1,3H3.
What are the key properties of 2-(1-hydroxyethoxy)butyl prop-2-enoate?
2-(1-hydroxyethoxy)butyl prop-2-enoate has a molecular weight of 188.22 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethoxy)butyl prop-2-enoate is sourced from PubChem (CID 142300979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).