ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene

C19H32 — CID 144729160

IUPACethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
SMILESC=C/C=C\C(=C)C.CC.CC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C7H10.2C2H6/c1-7-3-5-8(2)6-4-7;1-4-5-6-7(2)3;2*1-2/h3-6H,1-2H3;4-6H,1-2H2,3H3;2*1-2H3/b;6-5-;;
InChIKeyLTUOFJPOVLTYPD-IMZIEXLQSA-N
MW260.46 g/mol
LogP6.66
Rot. Bonds2

About ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene

ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene (PubChem CID 144729160) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene.

Molecular Properties

Compound Nameethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
PubChem CID144729160
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Nameethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
SMILESC=C/C=C\C(=C)C.CC.CC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C7H10.2C2H6/c1-7-3-5-8(2)6-4-7;1-4-5-6-7(2)3;2*1-2/h3-6H,1-2H3;4-6H,1-2H2,3H3;2*1-2H3/b;6-5-;;
InChIKeyLTUOFJPOVLTYPD-IMZIEXLQSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.66
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;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene?
The IUPAC name of ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene (CID 144729160) is ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene.
What is the SMILES notation for ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene?
The canonical SMILES for ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene is C=C/C=C\C(=C)C.CC.CC.Cc1ccc(C)cc1.
What is the InChIKey of ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene?
The InChIKey is LTUOFJPOVLTYPD-IMZIEXLQSA-N. The full InChI is InChI=1S/C8H10.C7H10.2C2H6/c1-7-3-5-8(2)6-4-7;1-4-5-6-7(2)3;2*1-2/h3-6H,1-2H3;4-6H,1-2H2,3H3;2*1-2H3/b;6-5-;;.
What are the key properties of ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene?
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene has a molecular weight of 260.46 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene is sourced from PubChem (CID 144729160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).