(3E,5E,7E)-tetradeca-3,5,7-trien-1-yne

C14H20 — CID 10726300

IUPAC(3E,5E,7E)-tetradeca-3,5,7-trien-1-yne
SMILESC#C/C=C/C=C/C=C/CCCCCC
InChIInChI=1S/C14H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,5,7,9,11,13-14H,4,6,8,10,12H2,2H3/b7-5+,11-9+,14-13+
InChIKeyJHKJXDHYYVHHRO-DMVGXQTPSA-N
MW188.31 g/mol
LogP4.26
Rot. Bonds7

About (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne

(3E,5E,7E)-tetradeca-3,5,7-trien-1-yne (PubChem CID 10726300) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne.

Molecular Properties

Compound Name(3E,5E,7E)-tetradeca-3,5,7-trien-1-yne
PubChem CID10726300
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(3E,5E,7E)-tetradeca-3,5,7-trien-1-yne
SMILESC#C/C=C/C=C/C=C/CCCCCC
InChIInChI=1S/C14H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,5,7,9,11,13-14H,4,6,8,10,12H2,2H3/b7-5+,11-9+,14-13+
InChIKeyJHKJXDHYYVHHRO-DMVGXQTPSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Undecatriene
CID 61832
(3E,5E)-1,3,5-Undecatriene
CID 5367412
1,3,5-Undecatriene, (3E,5Z)-
CID 5352367
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
CID 14409592
Nona-1,3-diene
CID 5352755
(E,Z)-2,4-Dodecadiene
CID 5365771
(3Z,5E)-1,3,5-Undecatriene
CID 5367410
(3E,15Z)-docosa-3,15-dien-1-yne
CID 44584674
1,3-Dodecadiene
CID 6365157
1,7,9,15-Heptadecatetraene-11,13-diyne
CID 6442686
3-Decen-1-yne, (E)-
CID 5367345
Npc232882
CID 41971

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne?
The IUPAC name of (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne (CID 10726300) is (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne.
What is the SMILES notation for (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne?
The canonical SMILES for (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne is C#C/C=C/C=C/C=C/CCCCCC.
What is the InChIKey of (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne?
The InChIKey is JHKJXDHYYVHHRO-DMVGXQTPSA-N. The full InChI is InChI=1S/C14H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,5,7,9,11,13-14H,4,6,8,10,12H2,2H3/b7-5+,11-9+,14-13+.
What are the key properties of (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne?
(3E,5E,7E)-tetradeca-3,5,7-trien-1-yne has a molecular weight of 188.31 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-tetradeca-3,5,7-trien-1-yne is sourced from PubChem (CID 10726300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).