ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate

C15H26O6 — CID 11109429

IUPACethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate
SMILESCCOC(=O)CCCC1(CCCC(=O)OCC)OCCO1
InChIInChI=1S/C15H26O6/c1-3-18-13(16)7-5-9-15(20-11-12-21-15)10-6-8-14(17)19-4-2/h3-12H2,1-2H3
InChIKeyHYPWJPDUBXEZAE-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.20
Rot. Bonds10

About ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate

ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate (PubChem CID 11109429) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate
PubChem CID11109429
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Nameethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate
SMILESCCOC(=O)CCCC1(CCCC(=O)OCC)OCCO1
InChIInChI=1S/C15H26O6/c1-3-18-13(16)7-5-9-15(20-11-12-21-15)10-6-8-14(17)19-4-2/h3-12H2,1-2H3
InChIKeyHYPWJPDUBXEZAE-UHFFFAOYSA-N
XLogP2.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
CID 71587572
1,2-Isopropylidene-3-decanoylglycerol
CID 171586
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
Ethyl 8-(2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl)octanoate
CID 53321944
Decanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 623166
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
3-(1,4-Dioxaspiro[4.4]non-6-yl)propionic acid methyl ester
CID 10798675
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl Octanoate
CID 11230661
Ethyl 4-(oxolan-2-yl)butanoate
CID 13763957
Methyl 2-methyl-1,3-dioxolane-2-butanoate
CID 3310317
Methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate
CID 11063488
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)butanoic acid
CID 14374505

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate?
The IUPAC name of ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate (CID 11109429) is ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate.
What is the SMILES notation for ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate?
The canonical SMILES for ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate is CCOC(=O)CCCC1(CCCC(=O)OCC)OCCO1.
What is the InChIKey of ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate?
The InChIKey is HYPWJPDUBXEZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6/c1-3-18-13(16)7-5-9-15(20-11-12-21-15)10-6-8-14(17)19-4-2/h3-12H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate?
ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate has a molecular weight of 302.37 g/mol, XLogP of 2.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate is sourced from PubChem (CID 11109429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).