methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate

C11H18O4 — CID 4116413

IUPACmethyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate
SMILESC=C(CCCC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C11H18O4/c1-9(10(12)13-3)5-4-6-11(2)14-7-8-15-11/h1,4-8H2,2-3H3
InChIKeyAJHWQYHJELJXSY-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds5

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

methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate (PubChem CID 4116413) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate
PubChem CID4116413
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate
SMILESC=C(CCCC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C11H18O4/c1-9(10(12)13-3)5-4-6-11(2)14-7-8-15-11/h1,4-8H2,2-3H3
InChIKeyAJHWQYHJELJXSY-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate?
The IUPAC name of methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate (CID 4116413) is methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate.
What is the SMILES notation for methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate?
The canonical SMILES for methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate is C=C(CCCC1(C)OCCO1)C(=O)OC.
What is the InChIKey of methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate?
The InChIKey is AJHWQYHJELJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(10(12)13-3)5-4-6-11(2)14-7-8-15-11/h1,4-8H2,2-3H3.
What are the key properties of methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate?
methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate is sourced from PubChem (CID 4116413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).