(E)-hexadec-7-en-9-yne

C16H28 — CID 11345044

IUPAC(E)-hexadec-7-en-9-yne
SMILESCCCCCCC#C/C=C/CCCCCC
InChIInChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h13,15H,3-12H2,1-2H3/b15-13+
InChIKeyLNQMQUYZNTZSSE-FYWRMAATSA-N
MW220.40 g/mol
LogP5.49
Rot. Bonds9

About (E)-hexadec-7-en-9-yne

(E)-hexadec-7-en-9-yne (PubChem CID 11345044) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (E)-hexadec-7-en-9-yne.

Molecular Properties

Compound Name(E)-hexadec-7-en-9-yne
PubChem CID11345044
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(E)-hexadec-7-en-9-yne
SMILESCCCCCCC#C/C=C/CCCCCC
InChIInChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h13,15H,3-12H2,1-2H3/b15-13+
InChIKeyLNQMQUYZNTZSSE-FYWRMAATSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.49
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

(E)-4-Undecene
CID 5358315
7-Tetradecene
CID 5364651
1,8,11-Heptadecatriene, (Z,Z)-
CID 5352709
Aplotaxene
CID 5352710
1,4-Undecadiene
CID 5358328
6-Tridecene, (6Z)-
CID 5356954
2-Nonene, (2Z)-
CID 5364455
2-Nonene, (2E)-
CID 5364590
(Z)-5-Dodecene
CID 5364658
Tetradec-7-ene
CID 25209
1,8,11,14-Heptadecatetraene
CID 5319559
cis-3-Decene
CID 5362723

Frequently Asked Questions

What is the IUPAC name of (E)-hexadec-7-en-9-yne?
The IUPAC name of (E)-hexadec-7-en-9-yne (CID 11345044) is (E)-hexadec-7-en-9-yne.
What is the SMILES notation for (E)-hexadec-7-en-9-yne?
The canonical SMILES for (E)-hexadec-7-en-9-yne is CCCCCCC#C/C=C/CCCCCC.
What is the InChIKey of (E)-hexadec-7-en-9-yne?
The InChIKey is LNQMQUYZNTZSSE-FYWRMAATSA-N. The full InChI is InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h13,15H,3-12H2,1-2H3/b15-13+.
What are the key properties of (E)-hexadec-7-en-9-yne?
(E)-hexadec-7-en-9-yne has a molecular weight of 220.40 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hexadec-7-en-9-yne is sourced from PubChem (CID 11345044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).