1-hydroxypropyl icosanoate

C23H46O3 — CID 155673375

IUPAC1-hydroxypropyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC(O)CC
InChIInChI=1S/C23H46O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)26-22(24)4-2/h22,24H,3-21H2,1-2H3
InChIKeyUHDOHZZMCMWDHQ-UHFFFAOYSA-N
MW370.62 g/mol
LogP7.30
Rot. Bonds20

About 1-hydroxypropyl icosanoate

1-hydroxypropyl icosanoate (PubChem CID 155673375) has the molecular formula C23H46O3 and a molecular weight of 370.62 g/mol. Its IUPAC name is 1-hydroxypropyl icosanoate.

Molecular Properties

Compound Name1-hydroxypropyl icosanoate
PubChem CID155673375
Molecular FormulaC23H46O3
Molecular Weight370.62 g/mol
Exact Mass370.34
IUPAC Name1-hydroxypropyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC(O)CC
InChIInChI=1S/C23H46O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)26-22(24)4-2/h22,24H,3-21H2,1-2H3
InChIKeyUHDOHZZMCMWDHQ-UHFFFAOYSA-N
XLogP7.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 pentanoate
CID 141059599
1-hydroxybutyl tetradecanoate
CID 141075613
dihydroxymethyl nonanoate
CID 118275765
1-hydroxyethyl hexadecanoate
CID 87454687
azane;dihydroxymethyl octadecanoate
CID 174373244
1-hydroxyethyl decanoate
CID 176884014
1,1-dihydroxypropan-2-yl octadecanoate
CID 130277700
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl undecanoate
CID 3016538
bis(1-hydroxybutyl) hexanedioate
CID 88811322

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl icosanoate?
The IUPAC name of 1-hydroxypropyl icosanoate (CID 155673375) is 1-hydroxypropyl icosanoate.
What is the SMILES notation for 1-hydroxypropyl icosanoate?
The canonical SMILES for 1-hydroxypropyl icosanoate is CCCCCCCCCCCCCCCCCCCC(=O)OC(O)CC.
What is the InChIKey of 1-hydroxypropyl icosanoate?
The InChIKey is UHDOHZZMCMWDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)26-22(24)4-2/h22,24H,3-21H2,1-2H3.
What are the key properties of 1-hydroxypropyl icosanoate?
1-hydroxypropyl icosanoate has a molecular weight of 370.62 g/mol, XLogP of 7.30, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl icosanoate is sourced from PubChem (CID 155673375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).