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

C20H48 — CID 142062128

IUPACethane;(3Z)-hexa-1,3,5-triene;propane
SMILESC=C/C=C\C=C.CC.CC.CC.CC.CCC.CCC
InChIInChI=1S/C6H8.2C3H8.4C2H6/c1-3-5-6-4-2;2*1-3-2;4*1-2/h3-6H,1-2H2;2*3H2,1-2H3;4*1-2H3/b6-5-;;;;;;
InChIKeyDFSFMGNJUARVQS-UEAOVRFBSA-N
MW288.60 g/mol
LogP8.85
Rot. Bonds2

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

ethane;(3Z)-hexa-1,3,5-triene;propane (PubChem CID 142062128) has the molecular formula C20H48 and a molecular weight of 288.60 g/mol. Its IUPAC name is ethane;(3Z)-hexa-1,3,5-triene;propane.

Molecular Properties

Compound Nameethane;(3Z)-hexa-1,3,5-triene;propane
PubChem CID142062128
Molecular FormulaC20H48
Molecular Weight288.60 g/mol
Exact Mass288.38
IUPAC Nameethane;(3Z)-hexa-1,3,5-triene;propane
SMILESC=C/C=C\C=C.CC.CC.CC.CC.CCC.CCC
InChIInChI=1S/C6H8.2C3H8.4C2H6/c1-3-5-6-4-2;2*1-3-2;4*1-2/h3-6H,1-2H2;2*3H2,1-2H3;4*1-2H3/b6-5-;;;;;;
InChIKeyDFSFMGNJUARVQS-UEAOVRFBSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.60
LogP ≤ 58.85
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

(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
benzene;(3Z)-hexa-1,3,5-triene;propane
CID 159956951
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
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
(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane
CID 143328939
methane;(3E)-penta-1,3-diene;propane
CID 143129609
deca-1,3,5,7-tetraene
CID 54238998
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-hexa-1,3,5-triene;propane?
The IUPAC name of ethane;(3Z)-hexa-1,3,5-triene;propane (CID 142062128) is ethane;(3Z)-hexa-1,3,5-triene;propane.
What is the SMILES notation for ethane;(3Z)-hexa-1,3,5-triene;propane?
The canonical SMILES for ethane;(3Z)-hexa-1,3,5-triene;propane is C=C/C=C\C=C.CC.CC.CC.CC.CCC.CCC.
What is the InChIKey of ethane;(3Z)-hexa-1,3,5-triene;propane?
The InChIKey is DFSFMGNJUARVQS-UEAOVRFBSA-N. The full InChI is InChI=1S/C6H8.2C3H8.4C2H6/c1-3-5-6-4-2;2*1-3-2;4*1-2/h3-6H,1-2H2;2*3H2,1-2H3;4*1-2H3/b6-5-;;;;;;.
What are the key properties of ethane;(3Z)-hexa-1,3,5-triene;propane?
ethane;(3Z)-hexa-1,3,5-triene;propane has a molecular weight of 288.60 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-hexa-1,3,5-triene;propane is sourced from PubChem (CID 142062128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).