[2-(pentanoyloxymethyl)phenyl]methyl pentanoate

C18H26O4 — CID 122421006

IUPAC[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
SMILESCCCCC(=O)OCc1ccccc1COC(=O)CCCC
InChIInChI=1S/C18H26O4/c1-3-5-11-17(19)21-13-15-9-7-8-10-16(15)14-22-18(20)12-6-4-2/h7-10H,3-6,11-14H2,1-2H3
InChIKeySQGSBIMKGBZDIM-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.15
Rot. Bonds10

About [2-(pentanoyloxymethyl)phenyl]methyl pentanoate

[2-(pentanoyloxymethyl)phenyl]methyl pentanoate (PubChem CID 122421006) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is [2-(pentanoyloxymethyl)phenyl]methyl pentanoate.

Molecular Properties

Compound Name[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
PubChem CID122421006
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
SMILESCCCCC(=O)OCc1ccccc1COC(=O)CCCC
InChIInChI=1S/C18H26O4/c1-3-5-11-17(19)21-13-15-9-7-8-10-16(15)14-22-18(20)12-6-4-2/h7-10H,3-6,11-14H2,1-2H3
InChIKeySQGSBIMKGBZDIM-UHFFFAOYSA-N
XLogP4.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(heptanoyloxymethyl)phenyl]methyl heptanoate
CID 122421013
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
[4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate
CID 139921100
10-O-[(2-iodophenyl)methyl] 1-O-octyl decanedioate
CID 91729090
bis[(2-methylphenyl)methyl] pentanedioate
CID 91703351
1-O-dodecyl 5-O-[(2-methylphenyl)methyl] pentanedioate
CID 91703338
5-O-[(2-bromophenyl)methyl] 1-O-pentadecyl pentanedioate
CID 91708468
[2-[2-[4-[hexyl(octyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[hexyl(octyl)amino]butanoate
CID 139955644
[2-[2-[4-[heptyl(hexyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[heptyl(hexyl)amino]butanoate
CID 139954126
(2-ethylphenyl)methyl 3-[3-[(2-ethylphenyl)methoxy]-3-oxopropyl]sulfanylpropanoate
CID 154411294
benzyl heptadecanoate
CID 522569
(2-oxo-1H-quinolin-3-yl)methyl pentanoate
CID 17101124

Frequently Asked Questions

What is the IUPAC name of [2-(pentanoyloxymethyl)phenyl]methyl pentanoate?
The IUPAC name of [2-(pentanoyloxymethyl)phenyl]methyl pentanoate (CID 122421006) is [2-(pentanoyloxymethyl)phenyl]methyl pentanoate.
What is the SMILES notation for [2-(pentanoyloxymethyl)phenyl]methyl pentanoate?
The canonical SMILES for [2-(pentanoyloxymethyl)phenyl]methyl pentanoate is CCCCC(=O)OCc1ccccc1COC(=O)CCCC.
What is the InChIKey of [2-(pentanoyloxymethyl)phenyl]methyl pentanoate?
The InChIKey is SQGSBIMKGBZDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-3-5-11-17(19)21-13-15-9-7-8-10-16(15)14-22-18(20)12-6-4-2/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of [2-(pentanoyloxymethyl)phenyl]methyl pentanoate?
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate has a molecular weight of 306.40 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pentanoyloxymethyl)phenyl]methyl pentanoate is sourced from PubChem (CID 122421006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).