(3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one

C10H14O3 — CID 5382217

IUPAC(3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one
SMILESCC1CO/C(=C2\C(=O)OCC2C)C1
InChIInChI=1S/C10H14O3/c1-6-3-8(12-4-6)9-7(2)5-13-10(9)11/h6-7H,3-5H2,1-2H3/b9-8-
InChIKeyKCWJYNNUWACWBD-HJWRWDBZSA-N
MW182.22 g/mol
LogP1.49
Rot. Bonds

About (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one

(3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one (PubChem CID 5382217) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one
PubChem CID5382217
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one
SMILESCC1CO/C(=C2\C(=O)OCC2C)C1
InChIInChI=1S/C10H14O3/c1-6-3-8(12-4-6)9-7(2)5-13-10(9)11/h6-7H,3-5H2,1-2H3/b9-8-
InChIKeyKCWJYNNUWACWBD-HJWRWDBZSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.49
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 (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one?
The IUPAC name of (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one (CID 5382217) is (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one?
The canonical SMILES for (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one is CC1CO/C(=C2\C(=O)OCC2C)C1.
What is the InChIKey of (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one?
The InChIKey is KCWJYNNUWACWBD-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-3-8(12-4-6)9-7(2)5-13-10(9)11/h6-7H,3-5H2,1-2H3/b9-8-.
What are the key properties of (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one?
(3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one is sourced from PubChem (CID 5382217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).