tetradeca-1,13-dien-7-yne

C14H22 — CID 135073072

IUPACtetradeca-1,13-dien-7-yne
SMILESC=CCCCCC#CCCCCC=C
InChIInChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChIKeyWOTAXOMBBBBZGC-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds8

About tetradeca-1,13-dien-7-yne

tetradeca-1,13-dien-7-yne (PubChem CID 135073072) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is tetradeca-1,13-dien-7-yne.

Molecular Properties

Compound Nametetradeca-1,13-dien-7-yne
PubChem CID135073072
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nametetradeca-1,13-dien-7-yne
SMILESC=CCCCCC#CCCCCC=C
InChIInChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChIKeyWOTAXOMBBBBZGC-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
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 tetradeca-1,13-dien-7-yne?
The IUPAC name of tetradeca-1,13-dien-7-yne (CID 135073072) is tetradeca-1,13-dien-7-yne.
What is the SMILES notation for tetradeca-1,13-dien-7-yne?
The canonical SMILES for tetradeca-1,13-dien-7-yne is C=CCCCCC#CCCCCC=C.
What is the InChIKey of tetradeca-1,13-dien-7-yne?
The InChIKey is WOTAXOMBBBBZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-12H2.
What are the key properties of tetradeca-1,13-dien-7-yne?
tetradeca-1,13-dien-7-yne has a molecular weight of 190.33 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-1,13-dien-7-yne is sourced from PubChem (CID 135073072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).