(3E,13E)-hexadeca-3,13-dien-1,15-diyne

C16H22 — CID 101416454

IUPAC(3E,13E)-hexadeca-3,13-dien-1,15-diyne
SMILESC#C/C=C/CCCCCCCC/C=C/C#C
InChIInChI=1S/C16H22/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2,5-8H,9-16H2/b7-5+,8-6+
InChIKeyUMWPLZIRFJHHGK-KQQUZDAGSA-N
MW214.35 g/mol
LogP4.49
Rot. Bonds9

About (3E,13E)-hexadeca-3,13-dien-1,15-diyne

(3E,13E)-hexadeca-3,13-dien-1,15-diyne (PubChem CID 101416454) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is (3E,13E)-hexadeca-3,13-dien-1,15-diyne.

Molecular Properties

Compound Name(3E,13E)-hexadeca-3,13-dien-1,15-diyne
PubChem CID101416454
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name(3E,13E)-hexadeca-3,13-dien-1,15-diyne
SMILESC#C/C=C/CCCCCCCC/C=C/C#C
InChIInChI=1S/C16H22/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2,5-8H,9-16H2/b7-5+,8-6+
InChIKeyUMWPLZIRFJHHGK-KQQUZDAGSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,9Z)-dodeca-3,9-dien-1,11-diyne
CID 11693943
non-3-en-1-yne
CID 556159
(Z)-oct-5-en-7-yn-1-ol
CID 13293587
heptacosa-3,23-dien-1,25-diyne
CID 71349303
(3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol
CID 10455056
heptacos-3-en-1,8,14,20-tetrayne
CID 163086579
tricos-20-en-3,5,10,12,22-pentayne-1,2-diol
CID 74051672
(3S,4E,14S)-hexatetraconta-4,21,27,43-tetraen-1,12,15,45-tetrayne-3,14-diol
CID 162957117
hentriacont-28-en-2,4,16,30-tetrayne-1,6-diol
CID 72971928
(E)-hex-3-en-1-yne
CID 5367402
(3S,4E,14S,17E,21Z,27Z,43Z)-hexatetraconta-4,17,21,27,43-pentaen-1,12,15,45-tetrayne-3,14-diol
CID 10055069
2-[(E)-9-hydroxyundec-7-en-10-ynyl]-6-[(5Z,11Z,27Z)-triaconta-5,11,27-trien-29-ynyl]pyran-4-one
CID 10327144

Frequently Asked Questions

What is the IUPAC name of (3E,13E)-hexadeca-3,13-dien-1,15-diyne?
The IUPAC name of (3E,13E)-hexadeca-3,13-dien-1,15-diyne (CID 101416454) is (3E,13E)-hexadeca-3,13-dien-1,15-diyne.
What is the SMILES notation for (3E,13E)-hexadeca-3,13-dien-1,15-diyne?
The canonical SMILES for (3E,13E)-hexadeca-3,13-dien-1,15-diyne is C#C/C=C/CCCCCCCC/C=C/C#C.
What is the InChIKey of (3E,13E)-hexadeca-3,13-dien-1,15-diyne?
The InChIKey is UMWPLZIRFJHHGK-KQQUZDAGSA-N. The full InChI is InChI=1S/C16H22/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2,5-8H,9-16H2/b7-5+,8-6+.
What are the key properties of (3E,13E)-hexadeca-3,13-dien-1,15-diyne?
(3E,13E)-hexadeca-3,13-dien-1,15-diyne has a molecular weight of 214.35 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,13E)-hexadeca-3,13-dien-1,15-diyne is sourced from PubChem (CID 101416454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).