tetradec-1-en-7,13-diyne

C14H20 — CID 13273616

IUPACtetradec-1-en-7,13-diyne
SMILESC#CCCCCC#CCCCCC=C
InChIInChI=1S/C14H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,4H,2,5-12H2
InChIKeyUQFFVDFYEXDNOD-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.93
Rot. Bonds7

About tetradec-1-en-7,13-diyne

tetradec-1-en-7,13-diyne (PubChem CID 13273616) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is tetradec-1-en-7,13-diyne.

Molecular Properties

Compound Nametetradec-1-en-7,13-diyne
PubChem CID13273616
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Nametetradec-1-en-7,13-diyne
SMILESC#CCCCCC#CCCCCC=C
InChIInChI=1S/C14H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,4H,2,5-12H2
InChIKeyUQFFVDFYEXDNOD-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetradec-1-en-7,13-diyne?
The IUPAC name of tetradec-1-en-7,13-diyne (CID 13273616) is tetradec-1-en-7,13-diyne.
What is the SMILES notation for tetradec-1-en-7,13-diyne?
The canonical SMILES for tetradec-1-en-7,13-diyne is C#CCCCCC#CCCCCC=C.
What is the InChIKey of tetradec-1-en-7,13-diyne?
The InChIKey is UQFFVDFYEXDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,4H,2,5-12H2.
What are the key properties of tetradec-1-en-7,13-diyne?
tetradec-1-en-7,13-diyne has a molecular weight of 188.31 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-1-en-7,13-diyne is sourced from PubChem (CID 13273616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).