(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene

C10H14 — CID 142093033

IUPAC(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
SMILESC=C/C=C\C(=C/C)\C=C\C
InChIInChI=1S/C10H14/c1-4-7-9-10(6-3)8-5-2/h4-9H,1H2,2-3H3/b8-5+,9-7-,10-6-
InChIKeyRLTWOBTZPRYWBK-XURJNACMSA-N
MW134.22 g/mol
LogP3.25
Rot. Bonds3

About (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene

(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene (PubChem CID 142093033) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene.

Molecular Properties

Compound Name(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
PubChem CID142093033
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
SMILESC=C/C=C\C(=C/C)\C=C\C
InChIInChI=1S/C10H14/c1-4-7-9-10(6-3)8-5-2/h4-9H,1H2,2-3H3/b8-5+,9-7-,10-6-
InChIKeyRLTWOBTZPRYWBK-XURJNACMSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene?
The IUPAC name of (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene (CID 142093033) is (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene.
What is the SMILES notation for (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene?
The canonical SMILES for (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene is C=C/C=C\C(=C/C)\C=C\C.
What is the InChIKey of (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene?
The InChIKey is RLTWOBTZPRYWBK-XURJNACMSA-N. The full InChI is InChI=1S/C10H14/c1-4-7-9-10(6-3)8-5-2/h4-9H,1H2,2-3H3/b8-5+,9-7-,10-6-.
What are the key properties of (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene?
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene has a molecular weight of 134.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene is sourced from PubChem (CID 142093033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).