benzyl 6-hydroxydecanoate

C17H26O3 — CID 154601453

IUPACbenzyl 6-hydroxydecanoate
SMILESCCCCC(O)CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C17H26O3/c1-2-3-11-16(18)12-7-8-13-17(19)20-14-15-9-5-4-6-10-15/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3
InChIKeyMWQDPHOASFHROA-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.84
Rot. Bonds10

About benzyl 6-hydroxydecanoate

benzyl 6-hydroxydecanoate (PubChem CID 154601453) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is benzyl 6-hydroxydecanoate.

Molecular Properties

Compound Namebenzyl 6-hydroxydecanoate
PubChem CID154601453
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Namebenzyl 6-hydroxydecanoate
SMILESCCCCC(O)CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C17H26O3/c1-2-3-11-16(18)12-7-8-13-17(19)20-14-15-9-5-4-6-10-15/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3
InChIKeyMWQDPHOASFHROA-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 8-chloro-6-hydroxyoctanoate
CID 175414251
benzyl heptadecanoate
CID 522569
benzyl 12-methoxyoctadecanoate
CID 174381311
benzyl 12-hexanoyloxyoctadecanoate
CID 171545043
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
benzyl 5-hydroxyhexanoate
CID 86132450
1-O-benzyl 11-O-butyl 2-octylundecanedioate
CID 90379164
1-O-(2-hydroxypropyl) 4-O-(10-oxo-10-phenylmethoxydecan-5-yl) (Z)-but-2-enedioate
CID 154601448
benzyl 4-propan-2-yloctadecanoate
CID 174779566
(2-hydroxy-3-phenylmethoxypropyl) dodecanoate
CID 14451248
5-O-benzyl 1-O-octyl (2S)-2-hydroxypentanedioate
CID 118311235
benzyl 6-hydroxy-5-methylheptanoate
CID 163967493

Frequently Asked Questions

What is the IUPAC name of benzyl 6-hydroxydecanoate?
The IUPAC name of benzyl 6-hydroxydecanoate (CID 154601453) is benzyl 6-hydroxydecanoate.
What is the SMILES notation for benzyl 6-hydroxydecanoate?
The canonical SMILES for benzyl 6-hydroxydecanoate is CCCCC(O)CCCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-hydroxydecanoate?
The InChIKey is MWQDPHOASFHROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-2-3-11-16(18)12-7-8-13-17(19)20-14-15-9-5-4-6-10-15/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3.
What are the key properties of benzyl 6-hydroxydecanoate?
benzyl 6-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 6-hydroxydecanoate is sourced from PubChem (CID 154601453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).