1-hydroxypropyl pentanoate

C8H16O3 — CID 141059599

IUPAC1-hydroxypropyl pentanoate
SMILESCCCCC(=O)OC(O)CC
InChIInChI=1S/C8H16O3/c1-3-5-6-8(10)11-7(9)4-2/h7,9H,3-6H2,1-2H3
InChIKeyRENHYQGJFKWMGP-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.45
Rot. Bonds5

About 1-hydroxypropyl pentanoate

1-hydroxypropyl pentanoate (PubChem CID 141059599) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-hydroxypropyl pentanoate.

Molecular Properties

Compound Name1-hydroxypropyl pentanoate
PubChem CID141059599
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-hydroxypropyl pentanoate
SMILESCCCCC(=O)OC(O)CC
InChIInChI=1S/C8H16O3/c1-3-5-6-8(10)11-7(9)4-2/h7,9H,3-6H2,1-2H3
InChIKeyRENHYQGJFKWMGP-UHFFFAOYSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-hydroxypropyl hexadecanoate
CID 20514368
1-hydroxypropyl tetradecanoate
CID 20514336
1-hydroxypropyl icosanoate
CID 155673375
bis(1-hydroxybutyl) hexanedioate
CID 88811322
3-hydroxybutan-2-yl pentanoate
CID 19808005
1-hydroxybutyl tetradecanoate
CID 141075613
dihydroxymethyl nonanoate
CID 118275765
1-hydroxyethyl decanoate
CID 176884014
1-hydroxyethyl hexadecanoate
CID 87454687
azane;dihydroxymethyl octadecanoate
CID 174373244
3-(1-hydroxypropoxycarbonyl)hept-2-enoic acid
CID 73471180
1-hydroxybutyl 6-hydroxyhexanoate
CID 87263583

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl pentanoate?
The IUPAC name of 1-hydroxypropyl pentanoate (CID 141059599) is 1-hydroxypropyl pentanoate.
What is the SMILES notation for 1-hydroxypropyl pentanoate?
The canonical SMILES for 1-hydroxypropyl pentanoate is CCCCC(=O)OC(O)CC.
What is the InChIKey of 1-hydroxypropyl pentanoate?
The InChIKey is RENHYQGJFKWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-6-8(10)11-7(9)4-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-hydroxypropyl pentanoate?
1-hydroxypropyl pentanoate has a molecular weight of 160.21 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl pentanoate is sourced from PubChem (CID 141059599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).