benzyl 2-hydroxydecanoate

C17H26O3 — CID 139390218

IUPACbenzyl 2-hydroxydecanoate
SMILESCCCCCCCCC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-10-13-16(18)17(19)20-14-15-11-8-7-9-12-15/h7-9,11-12,16,18H,2-6,10,13-14H2,1H3
InChIKeyLKHNHYNBJPMREL-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.84
Rot. Bonds10

About benzyl 2-hydroxydecanoate

benzyl 2-hydroxydecanoate (PubChem CID 139390218) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is benzyl 2-hydroxydecanoate.

Molecular Properties

Compound Namebenzyl 2-hydroxydecanoate
PubChem CID139390218
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Namebenzyl 2-hydroxydecanoate
SMILESCCCCCCCCC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-10-13-16(18)17(19)20-14-15-11-8-7-9-12-15/h7-9,11-12,16,18H,2-6,10,13-14H2,1H3
InChIKeyLKHNHYNBJPMREL-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-decyldodecanoate
CID 129279401
benzyl (2R,3S)-3-hydroxy-2-methylundecanoate
CID 101265644
5-O-benzyl 1-O-octyl (2S)-2-hydroxypentanedioate
CID 118311235
benzyl 2-propyldecanoate
CID 175305414
ethyl 2-hydroxy-6-phenylmethoxyhexanoate
CID 141379360
benzyl 2-phenylheptanoate
CID 175026183
2-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300349
2-hydroxy-13-phenylmethoxyoctadecanoic acid
CID 101300383
benzyl 2,5-dimethyltetradecanoate
CID 177381525
benzyl 2-hydroxydodecyl carbonate
CID 139815173
benzyl 2-hexyl-3-hydroxy-5-oxohexadecanoate
CID 72773184
ethyl 2-hydroxy-6-(phenylmethoxycarbonylamino)hexanoate
CID 21392364

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxydecanoate?
The IUPAC name of benzyl 2-hydroxydecanoate (CID 139390218) is benzyl 2-hydroxydecanoate.
What is the SMILES notation for benzyl 2-hydroxydecanoate?
The canonical SMILES for benzyl 2-hydroxydecanoate is CCCCCCCCC(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-hydroxydecanoate?
The InChIKey is LKHNHYNBJPMREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-2-3-4-5-6-10-13-16(18)17(19)20-14-15-11-8-7-9-12-15/h7-9,11-12,16,18H,2-6,10,13-14H2,1H3.
What are the key properties of benzyl 2-hydroxydecanoate?
benzyl 2-hydroxydecanoate has a molecular weight of 278.39 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxydecanoate is sourced from PubChem (CID 139390218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).