1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene

C17H22O — CID 121345575

IUPAC1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene
SMILESC=C=Cc1cc(C(C)(C)CC)cc(C=C)c1OC
InChIInChI=1S/C17H22O/c1-7-10-14-12-15(17(4,5)9-3)11-13(8-2)16(14)18-6/h8,10-12H,1-2,9H2,3-6H3
InChIKeyXZAYZVJHVVCBHN-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.82
Rot. Bonds5

About 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene

1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene (PubChem CID 121345575) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene
PubChem CID121345575
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene
SMILESC=C=Cc1cc(C(C)(C)CC)cc(C=C)c1OC
InChIInChI=1S/C17H22O/c1-7-10-14-12-15(17(4,5)9-3)11-13(8-2)16(14)18-6/h8,10-12H,1-2,9H2,3-6H3
InChIKeyXZAYZVJHVVCBHN-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene?
The IUPAC name of 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene (CID 121345575) is 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene.
What is the SMILES notation for 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene?
The canonical SMILES for 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene is C=C=Cc1cc(C(C)(C)CC)cc(C=C)c1OC.
What is the InChIKey of 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene?
The InChIKey is XZAYZVJHVVCBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-7-10-14-12-15(17(4,5)9-3)11-13(8-2)16(14)18-6/h8,10-12H,1-2,9H2,3-6H3.
What are the key properties of 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene?
1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene has a molecular weight of 242.36 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene is sourced from PubChem (CID 121345575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).