ethane;(4Z,6E)-6-ethylnona-1,4,6-triene

C13H24 — CID 143827979

IUPACethane;(4Z,6E)-6-ethylnona-1,4,6-triene
SMILESC=CC/C=C\C(=C\CC)CC.CC
InChIInChI=1S/C11H18.C2H6/c1-4-7-8-10-11(6-3)9-5-2;1-2/h4,8-10H,1,5-7H2,2-3H3;1-2H3/b10-8-,11-9+;
InChIKeyCTUOTLWEOSEMBW-UXFBNDMYSA-N
MW180.33 g/mol
LogP4.89
Rot. Bonds5

About ethane;(4Z,6E)-6-ethylnona-1,4,6-triene

ethane;(4Z,6E)-6-ethylnona-1,4,6-triene (PubChem CID 143827979) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is ethane;(4Z,6E)-6-ethylnona-1,4,6-triene.

Molecular Properties

Compound Nameethane;(4Z,6E)-6-ethylnona-1,4,6-triene
PubChem CID143827979
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nameethane;(4Z,6E)-6-ethylnona-1,4,6-triene
SMILESC=CC/C=C\C(=C\CC)CC.CC
InChIInChI=1S/C11H18.C2H6/c1-4-7-8-10-11(6-3)9-5-2;1-2/h4,8-10H,1,5-7H2,2-3H3;1-2H3/b10-8-,11-9+;
InChIKeyCTUOTLWEOSEMBW-UXFBNDMYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.89
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'}

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Related Compounds

(4Z,6Z)-6-ethyl-8-methylidenedeca-1,4,6-triene
CID 144773854
5-ethylundeca-1,4,6-triene
CID 91313816
ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene
CID 143986521
(4Z,6E)-6-prop-2-ynoxynona-1,4,6-triene
CID 130348928
N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine
CID 130183526
(3E,5Z)-4-(propoxymethyl)octa-3,5-diene
CID 130374404
ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene
CID 143290103
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
ethane;(Z,3Z)-3-propylidenehept-4-enoic acid
CID 143337053
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
deca-3,6,9-trien-2-one
CID 139932510

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,6E)-6-ethylnona-1,4,6-triene?
The IUPAC name of ethane;(4Z,6E)-6-ethylnona-1,4,6-triene (CID 143827979) is ethane;(4Z,6E)-6-ethylnona-1,4,6-triene.
What is the SMILES notation for ethane;(4Z,6E)-6-ethylnona-1,4,6-triene?
The canonical SMILES for ethane;(4Z,6E)-6-ethylnona-1,4,6-triene is C=CC/C=C\C(=C\CC)CC.CC.
What is the InChIKey of ethane;(4Z,6E)-6-ethylnona-1,4,6-triene?
The InChIKey is CTUOTLWEOSEMBW-UXFBNDMYSA-N. The full InChI is InChI=1S/C11H18.C2H6/c1-4-7-8-10-11(6-3)9-5-2;1-2/h4,8-10H,1,5-7H2,2-3H3;1-2H3/b10-8-,11-9+;.
What are the key properties of ethane;(4Z,6E)-6-ethylnona-1,4,6-triene?
ethane;(4Z,6E)-6-ethylnona-1,4,6-triene has a molecular weight of 180.33 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,6E)-6-ethylnona-1,4,6-triene is sourced from PubChem (CID 143827979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).