2-undec-1-en-4-yn-3-yloxyoxane

C16H26O2 — CID 100948235

IUPAC2-undec-1-en-4-yn-3-yloxyoxane
SMILESC=CC(C#CCCCCCC)OC1CCCCO1
InChIInChI=1S/C16H26O2/c1-3-5-6-7-8-9-12-15(4-2)18-16-13-10-11-14-17-16/h4,15-16H,2-3,5-8,10-11,13-14H2,1H3
InChIKeyLPMKWOFFNXNWOB-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.06
Rot. Bonds7

About 2-undec-1-en-4-yn-3-yloxyoxane

2-undec-1-en-4-yn-3-yloxyoxane (PubChem CID 100948235) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-undec-1-en-4-yn-3-yloxyoxane.

Molecular Properties

Compound Name2-undec-1-en-4-yn-3-yloxyoxane
PubChem CID100948235
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-undec-1-en-4-yn-3-yloxyoxane
SMILESC=CC(C#CCCCCCC)OC1CCCCO1
InChIInChI=1S/C16H26O2/c1-3-5-6-7-8-9-12-15(4-2)18-16-13-10-11-14-17-16/h4,15-16H,2-3,5-8,10-11,13-14H2,1H3
InChIKeyLPMKWOFFNXNWOB-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-undec-1-en-4-yn-3-yloxyoxane?
The IUPAC name of 2-undec-1-en-4-yn-3-yloxyoxane (CID 100948235) is 2-undec-1-en-4-yn-3-yloxyoxane.
What is the SMILES notation for 2-undec-1-en-4-yn-3-yloxyoxane?
The canonical SMILES for 2-undec-1-en-4-yn-3-yloxyoxane is C=CC(C#CCCCCCC)OC1CCCCO1.
What is the InChIKey of 2-undec-1-en-4-yn-3-yloxyoxane?
The InChIKey is LPMKWOFFNXNWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-6-7-8-9-12-15(4-2)18-16-13-10-11-14-17-16/h4,15-16H,2-3,5-8,10-11,13-14H2,1H3.
What are the key properties of 2-undec-1-en-4-yn-3-yloxyoxane?
2-undec-1-en-4-yn-3-yloxyoxane has a molecular weight of 250.38 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undec-1-en-4-yn-3-yloxyoxane is sourced from PubChem (CID 100948235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).