[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate

C16H20O5 — CID 10827477

IUPAC[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate
SMILESCC1(CCCC(=O)COC(=O)c2ccccc2)OCCO1
InChIInChI=1S/C16H20O5/c1-16(20-10-11-21-16)9-5-8-14(17)12-19-15(18)13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3
InChIKeyDWTDPSHKXQLREC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.35
Rot. Bonds7

About [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate

[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate (PubChem CID 10827477) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate.

Molecular Properties

Compound Name[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate
PubChem CID10827477
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate
SMILESCC1(CCCC(=O)COC(=O)c2ccccc2)OCCO1
InChIInChI=1S/C16H20O5/c1-16(20-10-11-21-16)9-5-8-14(17)12-19-15(18)13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3
InChIKeyDWTDPSHKXQLREC-UHFFFAOYSA-N
XLogP2.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-imino-2-oxohexyl) benzoate
CID 174724327
[3-(2-methylprop-2-enoyloxy)-2-oxopropyl] benzoate
CID 172857381
(2-hydroxy-3-methylbut-2-enyl) benzoate
CID 162371830
(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl benzoate
CID 163980482
(4-methyl-2-oxopent-3-enyl) benzoate
CID 102183557
(1-methylcyclopropyl)methyl benzoate
CID 10465127
[(2R,3S,4S)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl benzoate
CID 170219507
CID 172688243
CID 172688243
3-oxobutyl benzoate
CID 10899468
(4,4,4-trifluoro-2-oxobutyl) benzoate
CID 132573578
[(1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentyl] benzoate
CID 101386021
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068

Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate?
The IUPAC name of [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate (CID 10827477) is [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate.
What is the SMILES notation for [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate?
The canonical SMILES for [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate is CC1(CCCC(=O)COC(=O)c2ccccc2)OCCO1.
What is the InChIKey of [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate?
The InChIKey is DWTDPSHKXQLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-16(20-10-11-21-16)9-5-8-14(17)12-19-15(18)13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3.
What are the key properties of [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate?
[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate has a molecular weight of 292.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] benzoate is sourced from PubChem (CID 10827477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).