ethane;(2Z,4Z,6Z)-nona-2,4,6-triene

C13H26 — CID 142106659

IUPACethane;(2Z,4Z,6Z)-nona-2,4,6-triene
SMILESC/C=C\C=C/C=C\CC.CC.CC
InChIInChI=1S/C9H14.2C2H6/c1-3-5-7-9-8-6-4-2;2*1-2/h3,5-9H,4H2,1-2H3;2*1-2H3/b5-3-,8-6-,9-7-;;
InChIKeyNEBZLARFHNWGSF-PCCSLJGWSA-N
MW182.35 g/mol
LogP5.14
Rot. Bonds3

About ethane;(2Z,4Z,6Z)-nona-2,4,6-triene

ethane;(2Z,4Z,6Z)-nona-2,4,6-triene (PubChem CID 142106659) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is ethane;(2Z,4Z,6Z)-nona-2,4,6-triene.

Molecular Properties

Compound Nameethane;(2Z,4Z,6Z)-nona-2,4,6-triene
PubChem CID142106659
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nameethane;(2Z,4Z,6Z)-nona-2,4,6-triene
SMILESC/C=C\C=C/C=C\CC.CC.CC
InChIInChI=1S/C9H14.2C2H6/c1-3-5-7-9-8-6-4-2;2*1-2/h3,5-9H,4H2,1-2H3;2*1-2H3/b5-3-,8-6-,9-7-;;
InChIKeyNEBZLARFHNWGSF-PCCSLJGWSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.35
LogP ≤ 55.14
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,5Z)-octa-3,5-diene
CID 142104932
(5E)-octa-3,5-diene
CID 173104147
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
(2Z,4Z,6E)-deca-2,4,6-triene;ethane;methane
CID 178167851
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene
CID 144560706
trideca-2,4,6,8-tetraene
CID 54117998
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
(1E,3Z,5E)-1-chloroocta-1,3,5-triene
CID 142113042
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;(2Z,4Z,6Z)-nona-2,4,6-triene?
The IUPAC name of ethane;(2Z,4Z,6Z)-nona-2,4,6-triene (CID 142106659) is ethane;(2Z,4Z,6Z)-nona-2,4,6-triene.
What is the SMILES notation for ethane;(2Z,4Z,6Z)-nona-2,4,6-triene?
The canonical SMILES for ethane;(2Z,4Z,6Z)-nona-2,4,6-triene is C/C=C\C=C/C=C\CC.CC.CC.
What is the InChIKey of ethane;(2Z,4Z,6Z)-nona-2,4,6-triene?
The InChIKey is NEBZLARFHNWGSF-PCCSLJGWSA-N. The full InChI is InChI=1S/C9H14.2C2H6/c1-3-5-7-9-8-6-4-2;2*1-2/h3,5-9H,4H2,1-2H3;2*1-2H3/b5-3-,8-6-,9-7-;;.
What are the key properties of ethane;(2Z,4Z,6Z)-nona-2,4,6-triene?
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene has a molecular weight of 182.35 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z,6Z)-nona-2,4,6-triene is sourced from PubChem (CID 142106659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).