5-propoxyhex-5-en-3-yl 3-hydroxypentanoate

C14H26O4 — CID 59994847

IUPAC5-propoxyhex-5-en-3-yl 3-hydroxypentanoate
SMILESC=C(CC(CC)OC(=O)CC(O)CC)OCCC
InChIInChI=1S/C14H26O4/c1-5-8-17-11(4)9-13(7-3)18-14(16)10-12(15)6-2/h12-13,15H,4-10H2,1-3H3
InChIKeyMIGKLDSDIJSHRR-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.80
Rot. Bonds10

About 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate

5-propoxyhex-5-en-3-yl 3-hydroxypentanoate (PubChem CID 59994847) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate.

Molecular Properties

Compound Name5-propoxyhex-5-en-3-yl 3-hydroxypentanoate
PubChem CID59994847
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name5-propoxyhex-5-en-3-yl 3-hydroxypentanoate
SMILESC=C(CC(CC)OC(=O)CC(O)CC)OCCC
InChIInChI=1S/C14H26O4/c1-5-8-17-11(4)9-13(7-3)18-14(16)10-12(15)6-2/h12-13,15H,4-10H2,1-3H3
InChIKeyMIGKLDSDIJSHRR-UHFFFAOYSA-N
XLogP2.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (3R,5Z)-3-hydroxy-5-octenoate
CID 101998819
Methyl (3R)-3-hydroxy-5-hexenoate
CID 14110569
t-Butyl (3r)-3-hydroxyl-5-hexenoate
CID 11171417
ethyl (3R)-3-hydroxyhex-5-enoate
CID 14110567
tert-butyl (3S)-3-hydroxy-4-methylpent-4-enoate
CID 134992691
tert-butyl (3R)-3-hydroxy-4-methylpent-4-enoate
CID 134992959
methyl (3R)-3-hydroxyhepta-5,6-dienoate
CID 138980789
ethyl (3R,5Z)-3-hydroxyoct-5-enoate
CID 102092251
methyl (E,3S)-3-hydroxydec-5-enoate
CID 642276
Propan-2-yl 3-hydroxy-4-methylpent-4-enoate
CID 13429371
methyl (E)-3-hydroxydec-5-enoate
CID 15259813
ethyl (E)-3-hydroxyoct-5-enoate
CID 10679119

Frequently Asked Questions

What is the IUPAC name of 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate?
The IUPAC name of 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate (CID 59994847) is 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate.
What is the SMILES notation for 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate?
The canonical SMILES for 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate is C=C(CC(CC)OC(=O)CC(O)CC)OCCC.
What is the InChIKey of 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate?
The InChIKey is MIGKLDSDIJSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-5-8-17-11(4)9-13(7-3)18-14(16)10-12(15)6-2/h12-13,15H,4-10H2,1-3H3.
What are the key properties of 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate?
5-propoxyhex-5-en-3-yl 3-hydroxypentanoate has a molecular weight of 258.36 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxyhex-5-en-3-yl 3-hydroxypentanoate is sourced from PubChem (CID 59994847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).