(5E)-octa-3,5-diene

C8H14 — CID 173104147

IUPAC(5E)-octa-3,5-diene
SMILESCCC=C/C=C/CC
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6?
InChIKeyHWXQYUCHSICMAS-UOBFQKKOSA-N
MW110.20 g/mol
LogP2.92
Rot. Bonds3

About (5E)-octa-3,5-diene

(5E)-octa-3,5-diene (PubChem CID 173104147) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (5E)-octa-3,5-diene.

Molecular Properties

Compound Name(5E)-octa-3,5-diene
PubChem CID173104147
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(5E)-octa-3,5-diene
SMILESCCC=C/C=C/CC
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6?
InChIKeyHWXQYUCHSICMAS-UOBFQKKOSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.92
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
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
(1E,3Z,5E)-1-chloroocta-1,3,5-triene
CID 142113042
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
deca-1,3,5,7-tetraene
CID 54238998
N-methylhepta-2,4-dien-1-amine
CID 54531369
potassium hexa-1,3-dien-1-olate
CID 174609870
(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
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
(3E,5E)-octa-3,5-dien-1-amine
CID 55254846

Frequently Asked Questions

What is the IUPAC name of (5E)-octa-3,5-diene?
The IUPAC name of (5E)-octa-3,5-diene (CID 173104147) is (5E)-octa-3,5-diene.
What is the SMILES notation for (5E)-octa-3,5-diene?
The canonical SMILES for (5E)-octa-3,5-diene is CCC=C/C=C/CC.
What is the InChIKey of (5E)-octa-3,5-diene?
The InChIKey is HWXQYUCHSICMAS-UOBFQKKOSA-N. The full InChI is InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6?.
What are the key properties of (5E)-octa-3,5-diene?
(5E)-octa-3,5-diene has a molecular weight of 110.20 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-octa-3,5-diene is sourced from PubChem (CID 173104147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).