(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole

C18H16O3 — CID 102593158

IUPAC(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole
SMILESCC1(C)O/C(=C\c2ccccc2)c2cc3c(cc21)OCO3
InChIInChI=1S/C18H16O3/c1-18(2)14-10-17-16(19-11-20-17)9-13(14)15(21-18)8-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b15-8-
InChIKeyJJBVMXRALBSWEW-NVNXTCNLSA-N
MW280.32 g/mol
LogP4.18
Rot. Bonds1

About (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole

(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole (PubChem CID 102593158) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole.

Molecular Properties

Compound Name(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole
PubChem CID102593158
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole
SMILESCC1(C)O/C(=C\c2ccccc2)c2cc3c(cc21)OCO3
InChIInChI=1S/C18H16O3/c1-18(2)14-10-17-16(19-11-20-17)9-13(14)15(21-18)8-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b15-8-
InChIKeyJJBVMXRALBSWEW-NVNXTCNLSA-N
XLogP4.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7Z)-7-benzylidene-5H-furo[3,4-f][1,3]benzodioxole
CID 134862672
(5E)-5-benzylidene-6-methylidene-1,3-benzodioxole
CID 134993705
3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
CID 71353553
1,3-benzodioxole;2,2-dimethyl-1,3-benzodioxole
CID 21273269
11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene
CID 101379229
benzene;1,3-benzodioxole
CID 158998325
6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82194483
8-benzylidene-7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 70426487
(3Z)-3-benzylidene-2,2-dimethyloxolane
CID 177435571
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
4,4-dimethyl-1,3-benzodioxine
CID 45117132
3-benzylidene-2-benzofuran-1-thione
CID 71400052

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole?
The IUPAC name of (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole (CID 102593158) is (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole.
What is the SMILES notation for (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole?
The canonical SMILES for (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole is CC1(C)O/C(=C\c2ccccc2)c2cc3c(cc21)OCO3.
What is the InChIKey of (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole?
The InChIKey is JJBVMXRALBSWEW-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H16O3/c1-18(2)14-10-17-16(19-11-20-17)9-13(14)15(21-18)8-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b15-8-.
What are the key properties of (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole?
(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole has a molecular weight of 280.32 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole is sourced from PubChem (CID 102593158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).