ethane;(2E,4E)-hexa-2,4-diene;methane

C9H20 — CID 158840688

IUPACethane;(2E,4E)-hexa-2,4-diene;methane
SMILESC.C/C=C/C=C/C.CC
InChIInChI=1S/C6H10.C2H6.CH4/c1-3-5-6-4-2;1-2;/h3-6H,1-2H3;1-2H3;1H4/b5-3+,6-4+;;
InChIKeyIYEXDLNMIVLMIZ-ZOGBMKMPSA-N
MW128.26 g/mol
LogP3.80
Rot. Bonds1

About ethane;(2E,4E)-hexa-2,4-diene;methane

ethane;(2E,4E)-hexa-2,4-diene;methane (PubChem CID 158840688) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is ethane;(2E,4E)-hexa-2,4-diene;methane.

Molecular Properties

Compound Nameethane;(2E,4E)-hexa-2,4-diene;methane
PubChem CID158840688
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Nameethane;(2E,4E)-hexa-2,4-diene;methane
SMILESC.C/C=C/C=C/C.CC
InChIInChI=1S/C6H10.C2H6.CH4/c1-3-5-6-4-2;1-2;/h3-6H,1-2H3;1-2H3;1H4/b5-3+,6-4+;;
InChIKeyIYEXDLNMIVLMIZ-ZOGBMKMPSA-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'}

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Related Compounds

ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
(4E)-hexa-2,4-diene
CID 22435466
potassium;hexa-2,4-diene;hydride
CID 174550949
carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)
CID 159087607
(3Z,5Z)-hepta-1,3,5-triene;methane
CID 143380753
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
ethane;hexa-2,4-diene;1-methylsulfanylprop-1-ene
CID 162283255
(2Z,4Z,6E)-deca-2,4,6-triene;ethane;methane
CID 178167851
(Z)-but-2-ene;ethane
CID 90897883
penta-1,3-dienylsilane
CID 149252410
(1Z,3Z)-penta-1,3-diene-1-thiol
CID 126660407

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-hexa-2,4-diene;methane?
The IUPAC name of ethane;(2E,4E)-hexa-2,4-diene;methane (CID 158840688) is ethane;(2E,4E)-hexa-2,4-diene;methane.
What is the SMILES notation for ethane;(2E,4E)-hexa-2,4-diene;methane?
The canonical SMILES for ethane;(2E,4E)-hexa-2,4-diene;methane is C.C/C=C/C=C/C.CC.
What is the InChIKey of ethane;(2E,4E)-hexa-2,4-diene;methane?
The InChIKey is IYEXDLNMIVLMIZ-ZOGBMKMPSA-N. The full InChI is InChI=1S/C6H10.C2H6.CH4/c1-3-5-6-4-2;1-2;/h3-6H,1-2H3;1-2H3;1H4/b5-3+,6-4+;;.
What are the key properties of ethane;(2E,4E)-hexa-2,4-diene;methane?
ethane;(2E,4E)-hexa-2,4-diene;methane 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 ethane;(2E,4E)-hexa-2,4-diene;methane is sourced from PubChem (CID 158840688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).