2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]

C40H50O13 — CID 160833031

IUPAC2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
SMILESC1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C10H14O.C7H10O2.C5H4O3.C5H6O2.C5H8O.C4H2O3.C4H6O/c1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-5-4-7(2,3)9-6(5)8;1-3-2-4(6)8-5(3)7;1-4-2-3-7-5(4)6;1-2-4-6-5-3-1;5-3-1-2-4(6)7-3;1-2-4-5-3-1/h1-2,8-9H,3-7H2;1,4H2,2-3H3;1-2H2;1-3H2;2,4H,1,3,5H2;1-2H;1,3H,2,4H2
InChIKeySHAWVOHJXDZWCC-UHFFFAOYSA-N
MW738.83 g/mol
LogP5.62
Rot. Bonds

About 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]

2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] (PubChem CID 160833031) has the molecular formula C40H50O13 and a molecular weight of 738.83 g/mol. Its IUPAC name is 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane].

Molecular Properties

Compound Name2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
PubChem CID160833031
Molecular FormulaC40H50O13
Molecular Weight738.83 g/mol
Exact Mass738.33
IUPAC Name2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
SMILESC1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C10H14O.C7H10O2.C5H4O3.C5H6O2.C5H8O.C4H2O3.C4H6O/c1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-5-4-7(2,3)9-6(5)8;1-3-2-4(6)8-5(3)7;1-4-2-3-7-5(4)6;1-2-4-6-5-3-1;5-3-1-2-4(6)7-3;1-2-4-5-3-1/h1-2,8-9H,3-7H2;1,4H2,2-3H3;1-2H2;1-3H2;2,4H,1,3,5H2;1-2H;1,3H,2,4H2
InChIKeySHAWVOHJXDZWCC-UHFFFAOYSA-N
XLogP5.62
TPSA167.03 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.83
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The IUPAC name of 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] (CID 160833031) is 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane].
What is the SMILES notation for 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The canonical SMILES for 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] is C1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.O=C1C=CC(=O)O1.
What is the InChIKey of 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The InChIKey is SHAWVOHJXDZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C7H10O2.C5H4O3.C5H6O2.C5H8O.C4H2O3.C4H6O/c1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-5-4-7(2,3)9-6(5)8;1-3-2-4(6)8-5(3)7;1-4-2-3-7-5(4)6;1-2-4-6-5-3-1;5-3-1-2-4(6)7-3;1-2-4-5-3-1/h1-2,8-9H,3-7H2;1,4H2,2-3H3;1-2H2;1-3H2;2,4H,1,3,5H2;1-2H;1,3H,2,4H2.
What are the key properties of 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] has a molecular weight of 738.83 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] is sourced from PubChem (CID 160833031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).