benzene;(3Z)-hexa-1,3,5-triene;propane

C15H22 — CID 159956951

IUPACbenzene;(3Z)-hexa-1,3,5-triene;propane
SMILESC=C/C=C\C=C.CCC.c1ccccc1
InChIInChI=1S/C6H6.C6H8.C3H8/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-3-2/h1-6H;3-6H,1-2H2;3H2,1-2H3/b;6-5-;
InChIKeyOCVKOOIJEFZNKQ-XRPAZMCKSA-N
MW202.34 g/mol
LogP5.02
Rot. Bonds2

About benzene;(3Z)-hexa-1,3,5-triene;propane

benzene;(3Z)-hexa-1,3,5-triene;propane (PubChem CID 159956951) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is benzene;(3Z)-hexa-1,3,5-triene;propane.

Molecular Properties

Compound Namebenzene;(3Z)-hexa-1,3,5-triene;propane
PubChem CID159956951
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Namebenzene;(3Z)-hexa-1,3,5-triene;propane
SMILESC=C/C=C\C=C.CCC.c1ccccc1
InChIInChI=1S/C6H6.C6H8.C3H8/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-3-2/h1-6H;3-6H,1-2H2;3H2,1-2H3/b;6-5-;
InChIKeyOCVKOOIJEFZNKQ-XRPAZMCKSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.34
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
benzene;(3E)-hexa-1,3-diene
CID 173449950
benzene;ethane;(3Z)-hexa-1,3-diene
CID 145406592
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
benzene;propane
CID 91272297
benzene;propane
CID 22402732
methane;(3E)-penta-1,3-diene;propane
CID 143129609
ethane;penta-1,3-diene;propane
CID 143367111
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
deca-1,3,5,7-tetraene
CID 54238998
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807

Frequently Asked Questions

What is the IUPAC name of benzene;(3Z)-hexa-1,3,5-triene;propane?
The IUPAC name of benzene;(3Z)-hexa-1,3,5-triene;propane (CID 159956951) is benzene;(3Z)-hexa-1,3,5-triene;propane.
What is the SMILES notation for benzene;(3Z)-hexa-1,3,5-triene;propane?
The canonical SMILES for benzene;(3Z)-hexa-1,3,5-triene;propane is C=C/C=C\C=C.CCC.c1ccccc1.
What is the InChIKey of benzene;(3Z)-hexa-1,3,5-triene;propane?
The InChIKey is OCVKOOIJEFZNKQ-XRPAZMCKSA-N. The full InChI is InChI=1S/C6H6.C6H8.C3H8/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-3-2/h1-6H;3-6H,1-2H2;3H2,1-2H3/b;6-5-;.
What are the key properties of benzene;(3Z)-hexa-1,3,5-triene;propane?
benzene;(3Z)-hexa-1,3,5-triene;propane has a molecular weight of 202.34 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(3Z)-hexa-1,3,5-triene;propane is sourced from PubChem (CID 159956951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).