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

C12H22 — CID 142406925

IUPAC(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
SMILESC=C/C=C\C=C.C=CC.CCC
InChIInChI=1S/C6H8.C3H8.C3H6/c1-3-5-6-4-2;2*1-3-2/h3-6H,1-2H2;3H2,1-2H3;3H,1H2,2H3/b6-5-;;
InChIKeyMEMOCFNFMXETHS-XNOMRPDFSA-N
MW166.31 g/mol
LogP4.52
Rot. Bonds2

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

(3Z)-hexa-1,3,5-triene;propane;prop-1-ene (PubChem CID 142406925) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3Z)-hexa-1,3,5-triene;propane;prop-1-ene.

Molecular Properties

Compound Name(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
PubChem CID142406925
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
SMILESC=C/C=C\C=C.C=CC.CCC
InChIInChI=1S/C6H8.C3H8.C3H6/c1-3-5-6-4-2;2*1-3-2/h3-6H,1-2H2;3H2,1-2H3;3H,1H2,2H3/b6-5-;;
InChIKeyMEMOCFNFMXETHS-XNOMRPDFSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-hexa-1,3,5-triene;propane;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
benzene;(3Z)-hexa-1,3,5-triene;propane
CID 159956951
methane;(3E)-penta-1,3-diene;propane
CID 143129609
ethane;penta-1,3-diene;propane
CID 143367111
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
CID 142056064
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
butane;ethane;propane;prop-1-ene
CID 143366707
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
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 (3Z)-hexa-1,3,5-triene;propane;prop-1-ene?
The IUPAC name of (3Z)-hexa-1,3,5-triene;propane;prop-1-ene (CID 142406925) is (3Z)-hexa-1,3,5-triene;propane;prop-1-ene.
What is the SMILES notation for (3Z)-hexa-1,3,5-triene;propane;prop-1-ene?
The canonical SMILES for (3Z)-hexa-1,3,5-triene;propane;prop-1-ene is C=C/C=C\C=C.C=CC.CCC.
What is the InChIKey of (3Z)-hexa-1,3,5-triene;propane;prop-1-ene?
The InChIKey is MEMOCFNFMXETHS-XNOMRPDFSA-N. The full InChI is InChI=1S/C6H8.C3H8.C3H6/c1-3-5-6-4-2;2*1-3-2/h3-6H,1-2H2;3H2,1-2H3;3H,1H2,2H3/b6-5-;;.
What are the key properties of (3Z)-hexa-1,3,5-triene;propane;prop-1-ene?
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene has a molecular weight of 166.31 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hexa-1,3,5-triene;propane;prop-1-ene is sourced from PubChem (CID 142406925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).