2-hydroxyethyl propanoate;pentan-1-ol

C10H22O4 — CID 174862419

IUPAC2-hydroxyethyl propanoate;pentan-1-ol
SMILESCCC(=O)OCCO.CCCCCO
InChIInChI=1S/C5H10O3.C5H12O/c1-2-5(7)8-4-3-6;1-2-3-4-5-6/h6H,2-4H2,1H3;6H,2-5H2,1H3
InChIKeyLFDFZVVXZUBPQS-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.10
Rot. Bonds6

About 2-hydroxyethyl propanoate;pentan-1-ol

2-hydroxyethyl propanoate;pentan-1-ol (PubChem CID 174862419) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-hydroxyethyl propanoate;pentan-1-ol.

Molecular Properties

Compound Name2-hydroxyethyl propanoate;pentan-1-ol
PubChem CID174862419
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name2-hydroxyethyl propanoate;pentan-1-ol
SMILESCCC(=O)OCCO.CCCCCO
InChIInChI=1S/C5H10O3.C5H12O/c1-2-5(7)8-4-3-6;1-2-3-4-5-6/h6H,2-4H2,1H3;6H,2-5H2,1H3
InChIKeyLFDFZVVXZUBPQS-UHFFFAOYSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-hydroxynonyl propanoate
CID 90020173
butyl propanoate;2-(2-hydroxyethoxy)ethanol
CID 157321164
pentyl propanoate;hydrofluoride
CID 174645674
butan-1-ol;ethyl propanoate
CID 157384460
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
methyl propanoate;octadecan-1-ol
CID 175193960
9-hydroxynonyl nonanoate
CID 171474972
16-hydroxyhexadecyl dodecanoate
CID 166098146
12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629
6-hydroxyhexyl octanoate
CID 23036666
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl propanoate;pentan-1-ol?
The IUPAC name of 2-hydroxyethyl propanoate;pentan-1-ol (CID 174862419) is 2-hydroxyethyl propanoate;pentan-1-ol.
What is the SMILES notation for 2-hydroxyethyl propanoate;pentan-1-ol?
The canonical SMILES for 2-hydroxyethyl propanoate;pentan-1-ol is CCC(=O)OCCO.CCCCCO.
What is the InChIKey of 2-hydroxyethyl propanoate;pentan-1-ol?
The InChIKey is LFDFZVVXZUBPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C5H12O/c1-2-5(7)8-4-3-6;1-2-3-4-5-6/h6H,2-4H2,1H3;6H,2-5H2,1H3.
What are the key properties of 2-hydroxyethyl propanoate;pentan-1-ol?
2-hydroxyethyl propanoate;pentan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl propanoate;pentan-1-ol is sourced from PubChem (CID 174862419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).