(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene

C23H30 — CID 143762679

IUPAC(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
SMILESC=C/C(C)=C\C=C/C.Cc1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C8H10.C8H12.C7H8/c1-7-3-5-8(2)6-4-7;1-4-6-7-8(3)5-2;1-7-5-3-2-4-6-7/h3-6H,1-2H3;4-7H,2H2,1,3H3;2-6H,1H3/b;6-4-,8-7-;
InChIKeyMYINWKIXDJSYNF-FOFCQDJRSA-N
MW306.49 g/mol
LogP6.99
Rot. Bonds2

About (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene

(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene (PubChem CID 143762679) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene.

Molecular Properties

Compound Name(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
PubChem CID143762679
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
SMILESC=C/C(C)=C\C=C/C.Cc1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C8H10.C8H12.C7H8/c1-7-3-5-8(2)6-4-7;1-4-6-7-8(3)5-2;1-7-5-3-2-4-6-7/h3-6H,1-2H3;4-7H,2H2,1,3H3;2-6H,1H3/b;6-4-,8-7-;
InChIKeyMYINWKIXDJSYNF-FOFCQDJRSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.99
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 (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene?
The IUPAC name of (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene (CID 143762679) is (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene.
What is the SMILES notation for (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene?
The canonical SMILES for (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene is C=C/C(C)=C\C=C/C.Cc1ccc(C)cc1.Cc1ccccc1.
What is the InChIKey of (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene?
The InChIKey is MYINWKIXDJSYNF-FOFCQDJRSA-N. The full InChI is InChI=1S/C8H10.C8H12.C7H8/c1-7-3-5-8(2)6-4-7;1-4-6-7-8(3)5-2;1-7-5-3-2-4-6-7/h3-6H,1-2H3;4-7H,2H2,1,3H3;2-6H,1H3/b;6-4-,8-7-;.
What are the key properties of (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene?
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene has a molecular weight of 306.49 g/mol, XLogP of 6.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene is sourced from PubChem (CID 143762679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).