undec-1-en-5,7-diyne

C11H14 — CID 14104319

IUPACundec-1-en-5,7-diyne
SMILESC=CCCC#CC#CCCC
InChIInChI=1S/C11H14/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-7H2,2H3
InChIKeyNWMNXRCEYDCCOB-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.76
Rot. Bonds3

About undec-1-en-5,7-diyne

undec-1-en-5,7-diyne (PubChem CID 14104319) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is undec-1-en-5,7-diyne.

Molecular Properties

Compound Nameundec-1-en-5,7-diyne
PubChem CID14104319
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Nameundec-1-en-5,7-diyne
SMILESC=CCCC#CC#CCCC
InChIInChI=1S/C11H14/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-7H2,2H3
InChIKeyNWMNXRCEYDCCOB-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.76
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 undec-1-en-5,7-diyne?
The IUPAC name of undec-1-en-5,7-diyne (CID 14104319) is undec-1-en-5,7-diyne.
What is the SMILES notation for undec-1-en-5,7-diyne?
The canonical SMILES for undec-1-en-5,7-diyne is C=CCCC#CC#CCCC.
What is the InChIKey of undec-1-en-5,7-diyne?
The InChIKey is NWMNXRCEYDCCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-7H2,2H3.
What are the key properties of undec-1-en-5,7-diyne?
undec-1-en-5,7-diyne has a molecular weight of 146.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-en-5,7-diyne is sourced from PubChem (CID 14104319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).