3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate

C8H14O5 — CID 174525354

IUPAC3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate
SMILESC=C(OCCO)C(=O)OCCCO
InChIInChI=1S/C8H14O5/c1-7(12-6-4-10)8(11)13-5-2-3-9/h9-10H,1-6H2
InChIKeyUTGAJZRPTCBZLQ-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.57
Rot. Bonds7

About 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate

3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate (PubChem CID 174525354) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate.

Molecular Properties

Compound Name3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate
PubChem CID174525354
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate
SMILESC=C(OCCO)C(=O)OCCCO
InChIInChI=1S/C8H14O5/c1-7(12-6-4-10)8(11)13-5-2-3-9/h9-10H,1-6H2
InChIKeyUTGAJZRPTCBZLQ-UHFFFAOYSA-N
XLogP-0.57
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hexyl 2-(2-hydroxyethoxy)prop-2-enoate
CID 87769838
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
3-(2-hydroxyethoxy)but-3-en-2-one
CID 71774845
3-hydroxypropyl 2-methylidenebutanoate
CID 54326039
octadecyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 87894967
3-hydroxypropyl 2-(chloromethyl)prop-2-enoate
CID 54080773
4-hydroxybutyl 2-aminoprop-2-enoate
CID 141230887
3-hydroxypropyl 4-amino-2-methylidene-4-oxobutanoate
CID 54006247
1-O-(3-hydroxypropyl) 4-O-methyl 2,3-dimethylidenebutanedioate
CID 140998471
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
propyl 2-octoxyprop-2-enoate
CID 139651501

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate?
The IUPAC name of 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate (CID 174525354) is 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate.
What is the SMILES notation for 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate?
The canonical SMILES for 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate is C=C(OCCO)C(=O)OCCCO.
What is the InChIKey of 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate?
The InChIKey is UTGAJZRPTCBZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-7(12-6-4-10)8(11)13-5-2-3-9/h9-10H,1-6H2.
What are the key properties of 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate?
3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate has a molecular weight of 190.19 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate is sourced from PubChem (CID 174525354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).