(3Z)-octa-1,3,7-trien-5-yne

C8H8 — CID 102533659

IUPAC(3Z)-octa-1,3,7-trien-5-yne
SMILESC=CC#C/C=C\C=C
InChIInChI=1S/C8H8/c1-3-5-7-8-6-4-2/h3-5,7H,1-2H2/b7-5-
InChIKeyDYQVQSUVEDCHDD-ALCCZGGFSA-N
MW104.15 g/mol
LogP1.92
Rot. Bonds1

About (3Z)-octa-1,3,7-trien-5-yne

(3Z)-octa-1,3,7-trien-5-yne (PubChem CID 102533659) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is (3Z)-octa-1,3,7-trien-5-yne.

Molecular Properties

Compound Name(3Z)-octa-1,3,7-trien-5-yne
PubChem CID102533659
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name(3Z)-octa-1,3,7-trien-5-yne
SMILESC=CC#C/C=C\C=C
InChIInChI=1S/C8H8/c1-3-5-7-8-6-4-2/h3-5,7H,1-2H2/b7-5-
InChIKeyDYQVQSUVEDCHDD-ALCCZGGFSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-octa-1,3,7-trien-5-yne
CID 5369442
(5E,7E)-nona-1,5,7-trien-3-yne
CID 641686
(5Z)-hepta-1,5-dien-3-yne
CID 142841775
(5E)-7-bromohepta-1,5-dien-3-yne
CID 91999239
trideca-2,10,12-trien-4,6,8-triyn-1-ol
CID 71357358
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(9E)-tetradeca-9,13-dien-11-yn-1-ol
CID 15705025
deca-1,9-dien-3,7-diyne
CID 12526720
buta-1,3-dien-1-amine;prop-2-enenitrile
CID 160554693
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
CID 134898449
CID 134898449
buta-1,3-diene;penta-1,3-diene;prop-2-enenitrile
CID 159248921

Frequently Asked Questions

What is the IUPAC name of (3Z)-octa-1,3,7-trien-5-yne?
The IUPAC name of (3Z)-octa-1,3,7-trien-5-yne (CID 102533659) is (3Z)-octa-1,3,7-trien-5-yne.
What is the SMILES notation for (3Z)-octa-1,3,7-trien-5-yne?
The canonical SMILES for (3Z)-octa-1,3,7-trien-5-yne is C=CC#C/C=C\C=C.
What is the InChIKey of (3Z)-octa-1,3,7-trien-5-yne?
The InChIKey is DYQVQSUVEDCHDD-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H8/c1-3-5-7-8-6-4-2/h3-5,7H,1-2H2/b7-5-.
What are the key properties of (3Z)-octa-1,3,7-trien-5-yne?
(3Z)-octa-1,3,7-trien-5-yne has a molecular weight of 104.15 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-octa-1,3,7-trien-5-yne is sourced from PubChem (CID 102533659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).