[2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate

C19H36O4 — CID 151423371

IUPAC[2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate
SMILESCCCCCCCCCC(=O)OCC(O)CCCOC=C(C)C
InChIInChI=1S/C19H36O4/c1-4-5-6-7-8-9-10-13-19(21)23-16-18(20)12-11-14-22-15-17(2)3/h15,18,20H,4-14,16H2,1-3H3
InChIKeyPBAADQZGJLLXNP-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.75
Rot. Bonds15

About [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate

[2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate (PubChem CID 151423371) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate.

Molecular Properties

Compound Name[2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate
PubChem CID151423371
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name[2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate
SMILESCCCCCCCCCC(=O)OCC(O)CCCOC=C(C)C
InChIInChI=1S/C19H36O4/c1-4-5-6-7-8-9-10-13-19(21)23-16-18(20)12-11-14-22-15-17(2)3/h15,18,20H,4-14,16H2,1-3H3
InChIKeyPBAADQZGJLLXNP-UHFFFAOYSA-N
XLogP4.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyhexyl icosanoate
CID 178043502
2-hydroxynonyl octanoate
CID 141214570
2-hydroxydodecyl hexadecanoate
CID 150178646
[(2R)-2-hydroxytriacontyl] (12S)-12-hydroxyoctadecanoate
CID 99712599
2-hydroxypentyl hexadecanoate
CID 178043487
2-hydroxypentyl heptanoate
CID 19808030
[(2R)-2-hydroxy-3-nonadecanoyloxypropyl] henicosanoate
CID 131800392
(3-heptadecanoyloxy-2-hydroxypropyl) octadecanoate
CID 178202109
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658
(3-heptadecanoyloxy-2-hydroxypropyl) heptadecanoate
CID 19753453
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] heptadecanoate
CID 131800092
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] tetracosanoate
CID 131801713

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate?
The IUPAC name of [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate (CID 151423371) is [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate.
What is the SMILES notation for [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate?
The canonical SMILES for [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate is CCCCCCCCCC(=O)OCC(O)CCCOC=C(C)C.
What is the InChIKey of [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate?
The InChIKey is PBAADQZGJLLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-4-5-6-7-8-9-10-13-19(21)23-16-18(20)12-11-14-22-15-17(2)3/h15,18,20H,4-14,16H2,1-3H3.
What are the key properties of [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate?
[2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate has a molecular weight of 328.49 g/mol, XLogP of 4.75, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate is sourced from PubChem (CID 151423371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).