5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one

C11H16O3 — CID 535145

IUPAC5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one
SMILESC=C(C)C(=C)CC1CC(=O)OC1OC
InChIInChI=1S/C11H16O3/c1-7(2)8(3)5-9-6-10(12)14-11(9)13-4/h9,11H,1,3,5-6H2,2,4H3
InChIKeyHDZQBCPKVMNEHP-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.04
Rot. Bonds4

About 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one

5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one (PubChem CID 535145) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one
PubChem CID535145
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one
SMILESC=C(C)C(=C)CC1CC(=O)OC1OC
InChIInChI=1S/C11H16O3/c1-7(2)8(3)5-9-6-10(12)14-11(9)13-4/h9,11H,1,3,5-6H2,2,4H3
InChIKeyHDZQBCPKVMNEHP-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[(3R,5S)-5-butoxyoxolan-3-yl]-2-methylidenebutanoate
CID 11129378
2(3H)-Furanone, 4,5-dihydro-4-(2-methyl-3-methylenebut-4-yl)-
CID 549665
2(3H)-Furanone, 4,5-dihydro-5-methoxy-4-(2,3-dimethyl-2-buten-4-yl)-
CID 534670
2(3H)-Furanone, 4,5-dihydro-3-methoxy-4-(2-methyl-1-propen-3-yl)-, trans-
CID 534883
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-7-methylene-
CID 556374
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-6-methylene-, trans-
CID 556724
2(3H)-Furanone, 4,5-dihydro-4-(2-methyl-3-methylene-1-buten-4-yl)-
CID 557545
ethyl 4-[(3R,5S)-5-ethoxyoxolan-3-yl]-2-methylidenebutanoate
CID 10633919
ethyl 2-methylidene-4-[(3R,5S)-5-propoxyoxolan-3-yl]butanoate
CID 10634833
Ethyl 3-(1-methoxyethoxymethyl)-4-methylidenehexanoate
CID 20490677
Ethyl 3-[ethoxy(methoxy)methyl]-4-methylidenehexanoate
CID 54021258
Methyl 2-(1-methoxyethoxymethyl)-1-methyl-3-methylidenecyclopentane-1-carboxylate
CID 69546448

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one?
The IUPAC name of 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one (CID 535145) is 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one.
What is the SMILES notation for 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one?
The canonical SMILES for 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one is C=C(C)C(=C)CC1CC(=O)OC1OC.
What is the InChIKey of 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one?
The InChIKey is HDZQBCPKVMNEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7(2)8(3)5-9-6-10(12)14-11(9)13-4/h9,11H,1,3,5-6H2,2,4H3.
What are the key properties of 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one?
5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one has a molecular weight of 196.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one is sourced from PubChem (CID 535145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).