methane;(3E)-penta-1,3-diene;propane

C9H20 — CID 143129609

IUPACmethane;(3E)-penta-1,3-diene;propane
SMILESC.C=C/C=C/C.CCC
InChIInChI=1S/C5H8.C3H8.CH4/c1-3-5-4-2;1-3-2;/h3-5H,1H2,2H3;3H2,1-2H3;1H4/b5-4+;;
InChIKeyJQFPAGLRHMEVEE-SFKRKKMESA-N
MW128.26 g/mol
LogP3.80
Rot. Bonds1

About methane;(3E)-penta-1,3-diene;propane

methane;(3E)-penta-1,3-diene;propane (PubChem CID 143129609) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is methane;(3E)-penta-1,3-diene;propane.

Molecular Properties

Compound Namemethane;(3E)-penta-1,3-diene;propane
PubChem CID143129609
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Namemethane;(3E)-penta-1,3-diene;propane
SMILESC.C=C/C=C/C.CCC
InChIInChI=1S/C5H8.C3H8.CH4/c1-3-5-4-2;1-3-2;/h3-5H,1H2,2H3;3H2,1-2H3;1H4/b5-4+;;
InChIKeyJQFPAGLRHMEVEE-SFKRKKMESA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methane;(3E)-penta-1,3-diene;propane 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;penta-1,3-diene;propane
CID 143367111
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
CID 142056064
(3E)-penta-1,3-diene
CID 71777643
methane;penta-1,3-diene;pent-2-ene
CID 158883793
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
ethane;3-methylpentane;(3Z)-penta-1,3-diene;propane
CID 142901462
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
carbanide;penta-1,3-diene;titanium(4+);trifluoride
CID 161466579

Frequently Asked Questions

What is the IUPAC name of methane;(3E)-penta-1,3-diene;propane?
The IUPAC name of methane;(3E)-penta-1,3-diene;propane (CID 143129609) is methane;(3E)-penta-1,3-diene;propane.
What is the SMILES notation for methane;(3E)-penta-1,3-diene;propane?
The canonical SMILES for methane;(3E)-penta-1,3-diene;propane is C.C=C/C=C/C.CCC.
What is the InChIKey of methane;(3E)-penta-1,3-diene;propane?
The InChIKey is JQFPAGLRHMEVEE-SFKRKKMESA-N. The full InChI is InChI=1S/C5H8.C3H8.CH4/c1-3-5-4-2;1-3-2;/h3-5H,1H2,2H3;3H2,1-2H3;1H4/b5-4+;;.
What are the key properties of methane;(3E)-penta-1,3-diene;propane?
methane;(3E)-penta-1,3-diene;propane has a molecular weight of 128.26 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3E)-penta-1,3-diene;propane is sourced from PubChem (CID 143129609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).