(5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one

C15H18O5 — CID 162933267

IUPAC(5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one
SMILESC=C1C[C@@H](C[C@@H](C)C(=O)C[C@H]2COC(=O)C2=C)OC1=O
InChIInChI=1S/C15H18O5/c1-8(4-12-5-9(2)14(17)20-12)13(16)6-11-7-19-15(18)10(11)3/h8,11-12H,2-7H2,1H3/t8-,11+,12-/m1/s1
InChIKeyWGAYVDVJAJUGKO-JFUSQASVSA-N
MW278.30 g/mol
LogP1.57
Rot. Bonds5

About (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one

(5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one (PubChem CID 162933267) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one
PubChem CID162933267
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one
SMILESC=C1C[C@@H](C[C@@H](C)C(=O)C[C@H]2COC(=O)C2=C)OC1=O
InChIInChI=1S/C15H18O5/c1-8(4-12-5-9(2)14(17)20-12)13(16)6-11-7-19-15(18)10(11)3/h8,11-12H,2-7H2,1H3/t8-,11+,12-/m1/s1
InChIKeyWGAYVDVJAJUGKO-JFUSQASVSA-N
XLogP1.57
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]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

Umbellifolide
CID 13889981
(1S,3E,5R,9S)-3-methyl-8,12-dimethylidene-6,18-dioxatricyclo[14.2.1.05,9]nonadeca-3,16(19)-diene-7,13,17-trione
CID 24970922
(4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one
CID 14733728
[(3aR,8R,9E,11aS)-10-methyl-3,6-dimethylidene-2,5-dioxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-8-yl] acetate
CID 162662954
4-Ethyl-3-methylidene-5-tridecyloxolan-2-one
CID 118708707
(3aS,6S,7aS)-6-methyl-3-methylidene-6-(3-oxopentanoyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione
CID 122191596
(3aS,6R,7aS)-6-methyl-3-methylidene-4,6,7,7a-tetrahydro-3aH-1-benzofuran-2,5-dione
CID 122191599
(3aS,6R,8aS)-6-methyl-3-methylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]furan-2-one
CID 10773717
(3aS,6S,8aS)-6-methyl-3-methylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]furan-2-one
CID 10773718
Postia Secoguaianolide
CID 57392887
(3aS,9aR,9bR)-6,9-dimethyl-3-methylidene-3a,4,9a,9b-tetrahydroazuleno[4,5-b]furan-2,5,7-trione
CID 134840418
(3aR,6R,7aR)-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione
CID 13889982

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one?
The IUPAC name of (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one (CID 162933267) is (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one.
What is the SMILES notation for (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one?
The canonical SMILES for (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one is C=C1C[C@@H](C[C@@H](C)C(=O)C[C@H]2COC(=O)C2=C)OC1=O.
What is the InChIKey of (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one?
The InChIKey is WGAYVDVJAJUGKO-JFUSQASVSA-N. The full InChI is InChI=1S/C15H18O5/c1-8(4-12-5-9(2)14(17)20-12)13(16)6-11-7-19-15(18)10(11)3/h8,11-12H,2-7H2,1H3/t8-,11+,12-/m1/s1.
What are the key properties of (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one?
(5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one has a molecular weight of 278.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methylidene-5-[(2R)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]-3-oxobutyl]oxolan-2-one is sourced from PubChem (CID 162933267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).