(3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one

C11H14O3 — CID 122533109

IUPAC(3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one
SMILESC=C1C/C(=C2/CC(C)OC2=O)C(C)O1
InChIInChI=1S/C11H14O3/c1-6-4-9(8(3)13-6)10-5-7(2)14-11(10)12/h7-8H,1,4-5H2,2-3H3/b10-9+
InChIKeyZFNRXDWKHXHRBI-MDZDMXLPSA-N
MW194.23 g/mol
LogP1.94
Rot. Bonds

About (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one

(3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one (PubChem CID 122533109) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one
PubChem CID122533109
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one
SMILESC=C1C/C(=C2/CC(C)OC2=O)C(C)O1
InChIInChI=1S/C11H14O3/c1-6-4-9(8(3)13-6)10-5-7(2)14-11(10)12/h7-8H,1,4-5H2,2-3H3/b10-9+
InChIKeyZFNRXDWKHXHRBI-MDZDMXLPSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one?
The IUPAC name of (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one (CID 122533109) is (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one.
What is the SMILES notation for (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one?
The canonical SMILES for (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one is C=C1C/C(=C2/CC(C)OC2=O)C(C)O1.
What is the InChIKey of (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one?
The InChIKey is ZFNRXDWKHXHRBI-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-4-9(8(3)13-6)10-5-7(2)14-11(10)12/h7-8H,1,4-5H2,2-3H3/b10-9+.
What are the key properties of (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one?
(3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one is sourced from PubChem (CID 122533109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).