2-(1-hydroxyethyl)pentyl prop-2-enoate

C10H18O3 — CID 152751756

IUPAC2-(1-hydroxyethyl)pentyl prop-2-enoate
SMILESC=CC(=O)OCC(CCC)C(C)O
InChIInChI=1S/C10H18O3/c1-4-6-9(8(3)11)7-13-10(12)5-2/h5,8-9,11H,2,4,6-7H2,1,3H3
InChIKeyUWWXQQZQKDFDNQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.51
Rot. Bonds6

About 2-(1-hydroxyethyl)pentyl prop-2-enoate

2-(1-hydroxyethyl)pentyl prop-2-enoate (PubChem CID 152751756) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)pentyl prop-2-enoate.

Molecular Properties

Compound Name2-(1-hydroxyethyl)pentyl prop-2-enoate
PubChem CID152751756
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(1-hydroxyethyl)pentyl prop-2-enoate
SMILESC=CC(=O)OCC(CCC)C(C)O
InChIInChI=1S/C10H18O3/c1-4-6-9(8(3)11)7-13-10(12)5-2/h5,8-9,11H,2,4,6-7H2,1,3H3
InChIKeyUWWXQQZQKDFDNQ-UHFFFAOYSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
3-hydroxy-2-(prop-2-enoyloxymethyl)butanoic acid
CID 174714719
2-cyanopentyl prop-2-enoate
CID 139708015
[5-(prop-2-enoyloxymethyl)-4-propylheptyl] 2-methylprop-2-enoate
CID 57254478
6-methylnonyl prop-2-enoate
CID 21298968
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-(1-hydroxyethoxy)butyl prop-2-enoate
CID 142300979
2-octyldecyl prop-2-enoate
CID 71353023
[4,5-dioxo-2-(2-oxobutanoyl)-3-propylheptyl] prop-2-enoate
CID 142730669

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)pentyl prop-2-enoate?
The IUPAC name of 2-(1-hydroxyethyl)pentyl prop-2-enoate (CID 152751756) is 2-(1-hydroxyethyl)pentyl prop-2-enoate.
What is the SMILES notation for 2-(1-hydroxyethyl)pentyl prop-2-enoate?
The canonical SMILES for 2-(1-hydroxyethyl)pentyl prop-2-enoate is C=CC(=O)OCC(CCC)C(C)O.
What is the InChIKey of 2-(1-hydroxyethyl)pentyl prop-2-enoate?
The InChIKey is UWWXQQZQKDFDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-9(8(3)11)7-13-10(12)5-2/h5,8-9,11H,2,4,6-7H2,1,3H3.
What are the key properties of 2-(1-hydroxyethyl)pentyl prop-2-enoate?
2-(1-hydroxyethyl)pentyl prop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)pentyl prop-2-enoate is sourced from PubChem (CID 152751756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).