1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene

C20H26O — CID 143570219

IUPAC1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene
SMILESC=C/C(=C\C)Oc1ccc(C(C)(C)C(/C=C\C)=C/C)cc1
InChIInChI=1S/C20H26O/c1-7-11-16(8-2)20(5,6)17-12-14-19(15-13-17)21-18(9-3)10-4/h7-15H,3H2,1-2,4-6H3/b11-7-,16-8+,18-10+
InChIKeyUBCDGDWYGYHZNT-UOPNFOKNSA-N
MW282.43 g/mol
LogP5.96
Rot. Bonds6

About 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene

1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene (PubChem CID 143570219) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene.

Molecular Properties

Compound Name1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene
PubChem CID143570219
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene
SMILESC=C/C(=C\C)Oc1ccc(C(C)(C)C(/C=C\C)=C/C)cc1
InChIInChI=1S/C20H26O/c1-7-11-16(8-2)20(5,6)17-12-14-19(15-13-17)21-18(9-3)10-4/h7-15H,3H2,1-2,4-6H3/b11-7-,16-8+,18-10+
InChIKeyUBCDGDWYGYHZNT-UOPNFOKNSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene?
The IUPAC name of 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene (CID 143570219) is 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene.
What is the SMILES notation for 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene?
The canonical SMILES for 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene is C=C/C(=C\C)Oc1ccc(C(C)(C)C(/C=C\C)=C/C)cc1.
What is the InChIKey of 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene?
The InChIKey is UBCDGDWYGYHZNT-UOPNFOKNSA-N. The full InChI is InChI=1S/C20H26O/c1-7-11-16(8-2)20(5,6)17-12-14-19(15-13-17)21-18(9-3)10-4/h7-15H,3H2,1-2,4-6H3/b11-7-,16-8+,18-10+.
What are the key properties of 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene?
1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene has a molecular weight of 282.43 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene is sourced from PubChem (CID 143570219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).