ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene

C14H30 — CID 144709527

IUPACethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
SMILESC/C=C\C(=C/C)CC.C=C.CC.CC
InChIInChI=1S/C8H14.2C2H6.C2H4/c1-4-7-8(5-2)6-3;3*1-2/h4-5,7H,6H2,1-3H3;2*1-2H3;1-2H2/b7-4-,8-5-;;;
InChIKeyVAYHELIKRXOAMT-QQAMBCKTSA-N
MW198.39 g/mol
LogP5.77
Rot. Bonds2

About ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene

ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene (PubChem CID 144709527) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene.

Molecular Properties

Compound Nameethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
PubChem CID144709527
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Nameethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
SMILESC/C=C\C(=C/C)CC.C=C.CC.CC
InChIInChI=1S/C8H14.2C2H6.C2H4/c1-4-7-8(5-2)6-3;3*1-2/h4-5,7H,6H2,1-3H3;2*1-2H3;1-2H2/b7-4-,8-5-;;;
InChIKeyVAYHELIKRXOAMT-QQAMBCKTSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.77
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

ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
CID 144719096
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
ethane;(Z,2E)-2-ethylidenepent-3-ene-1-thiol
CID 143332948
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
CID 142112959
(1E,3Z,5Z)-1-chloro-5-ethylhepta-1,3,5-triene;ethane
CID 143343718
(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
CID 143683617
(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine
CID 156548687
(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
CID 142868554
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene?
The IUPAC name of ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene (CID 144709527) is ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene.
What is the SMILES notation for ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene?
The canonical SMILES for ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene is C/C=C\C(=C/C)CC.C=C.CC.CC.
What is the InChIKey of ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene?
The InChIKey is VAYHELIKRXOAMT-QQAMBCKTSA-N. The full InChI is InChI=1S/C8H14.2C2H6.C2H4/c1-4-7-8(5-2)6-3;3*1-2/h4-5,7H,6H2,1-3H3;2*1-2H3;1-2H2/b7-4-,8-5-;;;.
What are the key properties of ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene?
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene has a molecular weight of 198.39 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene is sourced from PubChem (CID 144709527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).