undec-1-en-10-yne

C11H18 — CID 11137344

IUPACundec-1-en-10-yne
SMILESC#CCCCCCCCC=C
InChIInChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h1,4H,2,5-11H2
InChIKeyOLIJWDGIHUYEJK-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.54
Rot. Bonds7

About undec-1-en-10-yne

undec-1-en-10-yne (PubChem CID 11137344) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is undec-1-en-10-yne.

Molecular Properties

Compound Nameundec-1-en-10-yne
PubChem CID11137344
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Nameundec-1-en-10-yne
SMILESC#CCCCCCCCC=C
InChIInChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h1,4H,2,5-11H2
InChIKeyOLIJWDGIHUYEJK-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.54
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-10-yne?
The IUPAC name of undec-1-en-10-yne (CID 11137344) is undec-1-en-10-yne.
What is the SMILES notation for undec-1-en-10-yne?
The canonical SMILES for undec-1-en-10-yne is C#CCCCCCCCC=C.
What is the InChIKey of undec-1-en-10-yne?
The InChIKey is OLIJWDGIHUYEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h1,4H,2,5-11H2.
What are the key properties of undec-1-en-10-yne?
undec-1-en-10-yne has a molecular weight of 150.26 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-en-10-yne is sourced from PubChem (CID 11137344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).