dibenzyl 3-hydroxypentanedioate

C19H20O5 — CID 23067924

IUPACdibenzyl 3-hydroxypentanedioate
SMILESO=C(CC(O)CC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H20O5/c20-17(11-18(21)23-13-15-7-3-1-4-8-15)12-19(22)24-14-16-9-5-2-6-10-16/h1-10,17,20H,11-14H2
InChIKeyXMVUAFOCZMGQJC-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.61
Rot. Bonds8

About dibenzyl 3-hydroxypentanedioate

dibenzyl 3-hydroxypentanedioate (PubChem CID 23067924) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is dibenzyl 3-hydroxypentanedioate.

Molecular Properties

Compound Namedibenzyl 3-hydroxypentanedioate
PubChem CID23067924
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namedibenzyl 3-hydroxypentanedioate
SMILESO=C(CC(O)CC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H20O5/c20-17(11-18(21)23-13-15-7-3-1-4-8-15)12-19(22)24-14-16-9-5-2-6-10-16/h1-10,17,20H,11-14H2
InChIKeyXMVUAFOCZMGQJC-UHFFFAOYSA-N
XLogP2.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl (3S)-4-bromo-3-hydroxybutanoate
CID 141383144
benzyl (3S)-3-hydroxy-4-iodobutanoate
CID 141383143
benzyl 3-hydroxy-6-methylheptanoate
CID 10824589
benzyl 3-hydroxybutanoate
CID 562226
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
benzyl (3R)-3-hydroxy-4-(2-phenylethoxy)butanoate
CID 134919320
pyridin-4-ylmethyl 3-hydroxy-4-phenylbutanoate
CID 154617676
6-O-benzyl 1-O-methyl 3-hydroxyhexanedioate
CID 24978294
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl (3R)-3-hydroxypent-4-enoate
CID 101049169
benzyl (3R)-3-hydroxy-4,4-dimethylpentanoate
CID 11207095

Frequently Asked Questions

What is the IUPAC name of dibenzyl 3-hydroxypentanedioate?
The IUPAC name of dibenzyl 3-hydroxypentanedioate (CID 23067924) is dibenzyl 3-hydroxypentanedioate.
What is the SMILES notation for dibenzyl 3-hydroxypentanedioate?
The canonical SMILES for dibenzyl 3-hydroxypentanedioate is O=C(CC(O)CC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl 3-hydroxypentanedioate?
The InChIKey is XMVUAFOCZMGQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c20-17(11-18(21)23-13-15-7-3-1-4-8-15)12-19(22)24-14-16-9-5-2-6-10-16/h1-10,17,20H,11-14H2.
What are the key properties of dibenzyl 3-hydroxypentanedioate?
dibenzyl 3-hydroxypentanedioate has a molecular weight of 328.36 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 3-hydroxypentanedioate is sourced from PubChem (CID 23067924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).