6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione

C14H14O4 — CID 166512359

IUPAC6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione
SMILESC/C=C/C1=CC2C(=O)C3OC(C)=CC3C(=O)C2O1
InChIInChI=1S/C14H14O4/c1-3-4-8-6-10-12(16)13-9(5-7(2)17-13)11(15)14(10)18-8/h3-6,9-10,13-14H,1-2H3/b4-3+
InChIKeyNDAYPUQFCDDCQS-ONEGZZNKSA-N
MW246.26 g/mol
LogP1.53
Rot. Bonds1

About 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione

6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione (PubChem CID 166512359) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione.

Molecular Properties

Compound Name6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione
PubChem CID166512359
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione
SMILESC/C=C/C1=CC2C(=O)C3OC(C)=CC3C(=O)C2O1
InChIInChI=1S/C14H14O4/c1-3-4-8-6-10-12(16)13-9(5-7(2)17-13)11(15)14(10)18-8/h3-6,9-10,13-14H,1-2H3/b4-3+
InChIKeyNDAYPUQFCDDCQS-ONEGZZNKSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione?
The IUPAC name of 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione (CID 166512359) is 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione.
What is the SMILES notation for 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione?
The canonical SMILES for 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione is C/C=C/C1=CC2C(=O)C3OC(C)=CC3C(=O)C2O1.
What is the InChIKey of 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione?
The InChIKey is NDAYPUQFCDDCQS-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H14O4/c1-3-4-8-6-10-12(16)13-9(5-7(2)17-13)11(15)14(10)18-8/h3-6,9-10,13-14H,1-2H3/b4-3+.
What are the key properties of 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione?
6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione has a molecular weight of 246.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione is sourced from PubChem (CID 166512359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).