1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene

C15H20O — CID 143551203

IUPAC1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene
SMILESC/C=C\C(=C/C(C)C)Oc1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-5-6-15(11-12(2)3)16-14-9-7-13(4)8-10-14/h5-12H,1-4H3/b6-5-,15-11+
InChIKeySJCKVLKGQKGISA-UXNHMYCNSA-N
MW216.32 g/mol
LogP4.49
Rot. Bonds4

About 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene

1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene (PubChem CID 143551203) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene.

Molecular Properties

Compound Name1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene
PubChem CID143551203
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene
SMILESC/C=C\C(=C/C(C)C)Oc1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-5-6-15(11-12(2)3)16-14-9-7-13(4)8-10-14/h5-12H,1-4H3/b6-5-,15-11+
InChIKeySJCKVLKGQKGISA-UXNHMYCNSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.49
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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Related Compounds

1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
CID 143659600
1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene
CID 145118363
1-methyl-4-penta-1,3-dien-3-yloxybenzene
CID 123811564
1-methyl-4-[(2E,4Z)-6-methylocta-2,4-dien-7-yn-3-yl]oxybenzene
CID 142206755
1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene
CID 167082780
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
CID 166945579
1-[(Z)-but-2-en-2-yl]oxy-4-methylbenzene
CID 89339068
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine
CID 146419743
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine
CID 146419745
1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene
CID 88575510
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxybenzene
CID 167286021

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene?
The IUPAC name of 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene (CID 143551203) is 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene.
What is the SMILES notation for 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene?
The canonical SMILES for 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene is C/C=C\C(=C/C(C)C)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene?
The InChIKey is SJCKVLKGQKGISA-UXNHMYCNSA-N. The full InChI is InChI=1S/C15H20O/c1-5-6-15(11-12(2)3)16-14-9-7-13(4)8-10-14/h5-12H,1-4H3/b6-5-,15-11+.
What are the key properties of 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene?
1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene has a molecular weight of 216.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene is sourced from PubChem (CID 143551203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).