ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene

C18H29N — CID 143599197

IUPACethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene
SMILESC=C(/C=C\C=C/C)CC.CC.CCc1ccccn1
InChIInChI=1S/C9H14.C7H9N.C2H6/c1-4-6-7-8-9(3)5-2;1-2-7-5-3-4-6-8-7;1-2/h4,6-8H,3,5H2,1-2H3;3-6H,2H2,1H3;1-2H3/b6-4-,8-7-;;
InChIKeyQCYBXUIFHXRMQN-GTWMBCDHSA-N
MW259.44 g/mol
LogP5.76
Rot. Bonds4

About ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene

ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene (PubChem CID 143599197) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene.

Molecular Properties

Compound Nameethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene
PubChem CID143599197
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Nameethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene
SMILESC=C(/C=C\C=C/C)CC.CC.CCc1ccccn1
InChIInChI=1S/C9H14.C7H9N.C2H6/c1-4-6-7-8-9(3)5-2;1-2-7-5-3-4-6-8-7;1-2/h4,6-8H,3,5H2,1-2H3;3-6H,2H2,1H3;1-2H3/b6-4-,8-7-;;
InChIKeyQCYBXUIFHXRMQN-GTWMBCDHSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine
CID 144892259
2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine
CID 126606807
ethane;2-ethylpyridine
CID 91102000
ethane;2-ethylpyridine;methane
CID 142439308
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine;propan-2-one
CID 91062133
acetylene;2-ethylpyridine
CID 145358493
(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine
CID 89098917
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine
CID 172578813
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
CID 142487989

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene?
The IUPAC name of ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene (CID 143599197) is ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene.
What is the SMILES notation for ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene?
The canonical SMILES for ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene is C=C(/C=C\C=C/C)CC.CC.CCc1ccccn1.
What is the InChIKey of ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene?
The InChIKey is QCYBXUIFHXRMQN-GTWMBCDHSA-N. The full InChI is InChI=1S/C9H14.C7H9N.C2H6/c1-4-6-7-8-9(3)5-2;1-2-7-5-3-4-6-8-7;1-2/h4,6-8H,3,5H2,1-2H3;3-6H,2H2,1H3;1-2H3/b6-4-,8-7-;;.
What are the key properties of ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene?
ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene has a molecular weight of 259.44 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene is sourced from PubChem (CID 143599197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).