Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-

C21H24O2 — CID 77333

IUPAC1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene
SMILESCC(C)(C1=CC=C(C=C1)OCC=C)C2=CC=C(C=C2)OCC=C
InChIInChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
InChIKeySCZZNWQQCGSWSZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP5.90
Rot. Bonds8

About Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-

Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)- (PubChem CID 77333) has the molecular formula C21H24O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound NameBenzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-
PubChem CID77333
Molecular FormulaC21H24O2
Molecular Weight308.40 g/mol
Exact Mass308.18
IUPAC Name1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene
SMILESCC(C)(C1=CC=C(C=C1)OCC=C)C2=CC=C(C=C2)OCC=C
InChIInChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
InChIKeySCZZNWQQCGSWSZ-UHFFFAOYSA-N
XLogP5.90
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity324

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-?
The IUPAC name of Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)- (CID 77333) is 1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-?
The canonical SMILES for Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)- is CC(C)(C1=CC=C(C=C1)OCC=C)C2=CC=C(C=C2)OCC=C.
What is the InChIKey of Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-?
The InChIKey is SCZZNWQQCGSWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3.
What are the key properties of Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-?
Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)- has a molecular weight of 308.40 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)- is sourced from PubChem (CID 77333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).