2-undeca-2,5-diynyloxirane

C13H18O — CID 156679856

IUPAC2-undeca-2,5-diynyloxirane
SMILESCCCCCC#CCC#CCC1CO1
InChIInChI=1S/C13H18O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h13H,2-5,8,11-12H2,1H3
InChIKeyAVDSKVQZNBEFKW-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.75
Rot. Bonds4

About 2-undeca-2,5-diynyloxirane

2-undeca-2,5-diynyloxirane (PubChem CID 156679856) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-undeca-2,5-diynyloxirane.

Molecular Properties

Compound Name2-undeca-2,5-diynyloxirane
PubChem CID156679856
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-undeca-2,5-diynyloxirane
SMILESCCCCCC#CCC#CCC1CO1
InChIInChI=1S/C13H18O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h13H,2-5,8,11-12H2,1H3
InChIKeyAVDSKVQZNBEFKW-UHFFFAOYSA-N
XLogP2.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-non-2-ynyloxirane
CID 12065674
icosa-5,8,11-triyne
CID 139696043
(2S)-2-non-4-ynyloxirane
CID 11228997
heptadeca-4,7,10-triyne
CID 171715223
undeca-2,5-diyn-1-amine
CID 19090953
deca-1,4-diynyl(trimethyl)silane
CID 11031014
tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane
CID 54672543
henicos-8-yne
CID 22224321
trimethyl(undeca-1,4-diynyl)silane
CID 11345045
16-chlorohexadeca-6,9-diyne
CID 15606230
henicosa-3,6,9-triyn-1-ol
CID 23255046
dodeca-4,7-diyne
CID 173074460

Frequently Asked Questions

What is the IUPAC name of 2-undeca-2,5-diynyloxirane?
The IUPAC name of 2-undeca-2,5-diynyloxirane (CID 156679856) is 2-undeca-2,5-diynyloxirane.
What is the SMILES notation for 2-undeca-2,5-diynyloxirane?
The canonical SMILES for 2-undeca-2,5-diynyloxirane is CCCCCC#CCC#CCC1CO1.
What is the InChIKey of 2-undeca-2,5-diynyloxirane?
The InChIKey is AVDSKVQZNBEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h13H,2-5,8,11-12H2,1H3.
What are the key properties of 2-undeca-2,5-diynyloxirane?
2-undeca-2,5-diynyloxirane has a molecular weight of 190.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undeca-2,5-diynyloxirane is sourced from PubChem (CID 156679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).