ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate

C11H20O4 — CID 560056

IUPACethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate
SMILESCCOC(=O)CCCCC1(C)OCCO1
InChIInChI=1S/C11H20O4/c1-3-13-10(12)6-4-5-7-11(2)14-8-9-15-11/h3-9H2,1-2H3
InChIKeyQSEBGMKFYYJMOX-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds6

About ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate

ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate (PubChem CID 560056) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate
PubChem CID560056
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate
SMILESCCOC(=O)CCCCC1(C)OCCO1
InChIInChI=1S/C11H20O4/c1-3-13-10(12)6-4-5-7-11(2)14-8-9-15-11/h3-9H2,1-2H3
InChIKeyQSEBGMKFYYJMOX-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate?
The IUPAC name of ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate (CID 560056) is ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate?
The canonical SMILES for ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate is CCOC(=O)CCCCC1(C)OCCO1.
What is the InChIKey of ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate?
The InChIKey is QSEBGMKFYYJMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-13-10(12)6-4-5-7-11(2)14-8-9-15-11/h3-9H2,1-2H3.
What are the key properties of ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate?
ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate is sourced from PubChem (CID 560056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).