[(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene

C16H20O — CID 142029471

IUPAC[(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene
SMILESC=C/C=C\C(=C/COc1ccccc1)C(C)C
InChIInChI=1S/C16H20O/c1-4-5-9-15(14(2)3)12-13-17-16-10-7-6-8-11-16/h4-12,14H,1,13H2,2-3H3/b9-5-,15-12+
InChIKeyGWLRNPCWGMWWLK-QGRDVHRESA-N
MW228.33 g/mol
LogP4.39
Rot. Bonds6

About [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene

[(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene (PubChem CID 142029471) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene.

Molecular Properties

Compound Name[(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene
PubChem CID142029471
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name[(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene
SMILESC=C/C=C\C(=C/COc1ccccc1)C(C)C
InChIInChI=1S/C16H20O/c1-4-5-9-15(14(2)3)12-13-17-16-10-7-6-8-11-16/h4-12,14H,1,13H2,2-3H3/b9-5-,15-12+
InChIKeyGWLRNPCWGMWWLK-QGRDVHRESA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene?
The IUPAC name of [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene (CID 142029471) is [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene.
What is the SMILES notation for [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene?
The canonical SMILES for [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene is C=C/C=C\C(=C/COc1ccccc1)C(C)C.
What is the InChIKey of [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene?
The InChIKey is GWLRNPCWGMWWLK-QGRDVHRESA-N. The full InChI is InChI=1S/C16H20O/c1-4-5-9-15(14(2)3)12-13-17-16-10-7-6-8-11-16/h4-12,14H,1,13H2,2-3H3/b9-5-,15-12+.
What are the key properties of [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene?
[(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene has a molecular weight of 228.33 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene is sourced from PubChem (CID 142029471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).