(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate

C10H14O5 — CID 59107308

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate
SMILESCCCCC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C10H14O5/c1-3-4-5-9(11)13-6-8-7(2)14-10(12)15-8/h3-6H2,1-2H3
InChIKeyQIGYRNHSYYJSTD-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.77
Rot. Bonds5

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate (PubChem CID 59107308) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate
PubChem CID59107308
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate
SMILESCCCCC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C10H14O5/c1-3-4-5-9(11)13-6-8-7(2)14-10(12)15-8/h3-6H2,1-2H3
InChIKeyQIGYRNHSYYJSTD-UHFFFAOYSA-N
XLogP1.77
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-methyl-4-oxohexanoate
CID 164737996
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-pentyloctanoate
CID 166842545
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl octa-4,6-diynoate
CID 20801188
benzyl 4-(5-methyl-2-oxo-1,3-dioxol-4-yl)butanoate
CID 166686732
[5-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]phosphonic acid
CID 118895926
5-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-5-oxo-2-(phosphonomethyl)pentanoic acid
CID 118896154
[2-amino-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-3-oxopropyl] 4-(dihydroxyamino)oxybutanoate
CID 89081502
2-[[hydroxy-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphanyl]methyl]-5-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-5-oxopentanoic acid
CID 142456501
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethylpentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl formate
CID 177245277
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (NE)-N-(aminomethylidene)carbamate
CID 18549510
(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobut-2-enoic acid
CID 122499741
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(4-chloro-4-oxobutyl)-N-methylcarbamate
CID 155596941

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate (CID 59107308) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate is CCCCC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate?
The InChIKey is QIGYRNHSYYJSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-4-5-9(11)13-6-8-7(2)14-10(12)15-8/h3-6H2,1-2H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate has a molecular weight of 214.22 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate is sourced from PubChem (CID 59107308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).