ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene

C18H28 — CID 142101602

IUPACethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene
SMILESC/C=C\C=C(/CC)C(CC)c1ccccc1.CC
InChIInChI=1S/C16H22.C2H6/c1-4-7-11-14(5-2)16(6-3)15-12-9-8-10-13-15;1-2/h4,7-13,16H,5-6H2,1-3H3;1-2H3/b7-4-,14-11+;
InChIKeyPACURSAZMUBNOG-QBAXTUGNSA-N
MW244.42 g/mol
LogP6.12
Rot. Bonds5

About ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene

ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene (PubChem CID 142101602) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene.

Molecular Properties

Compound Nameethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene
PubChem CID142101602
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Nameethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene
SMILESC/C=C\C=C(/CC)C(CC)c1ccccc1.CC
InChIInChI=1S/C16H22.C2H6/c1-4-7-11-14(5-2)16(6-3)15-12-9-8-10-13-15;1-2/h4,7-13,16H,5-6H2,1-3H3;1-2H3/b7-4-,14-11+;
InChIKeyPACURSAZMUBNOG-QBAXTUGNSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene?
The IUPAC name of ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene (CID 142101602) is ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene.
What is the SMILES notation for ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene?
The canonical SMILES for ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene is C/C=C\C=C(/CC)C(CC)c1ccccc1.CC.
What is the InChIKey of ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene?
The InChIKey is PACURSAZMUBNOG-QBAXTUGNSA-N. The full InChI is InChI=1S/C16H22.C2H6/c1-4-7-11-14(5-2)16(6-3)15-12-9-8-10-13-15;1-2/h4,7-13,16H,5-6H2,1-3H3;1-2H3/b7-4-,14-11+;.
What are the key properties of ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene?
ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene has a molecular weight of 244.42 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene is sourced from PubChem (CID 142101602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).