(2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate

C11H18O4 — CID 70630750

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)OC1COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-5-6-8(2)10(12)14-9-7-13-11(3,4)15-9/h9H,2,5-7H2,1,3-4H3
InChIKeyBGUOXSOPDPVXBN-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.99
Rot. Bonds4

About (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate

(2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate (PubChem CID 70630750) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate
PubChem CID70630750
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)OC1COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-5-6-8(2)10(12)14-9-7-13-11(3,4)15-9/h9H,2,5-7H2,1,3-4H3
InChIKeyBGUOXSOPDPVXBN-UHFFFAOYSA-N
XLogP1.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate (CID 70630750) is (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate is C=C(CCC)C(=O)OC1COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate?
The InChIKey is BGUOXSOPDPVXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-6-8(2)10(12)14-9-7-13-11(3,4)15-9/h9H,2,5-7H2,1,3-4H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate?
(2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate has a molecular weight of 214.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl) 2-methylidenepentanoate is sourced from PubChem (CID 70630750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).