3-prop-2-enoxyoct-1-yne

C11H18O — CID 11126647

IUPAC3-prop-2-enoxyoct-1-yne
SMILESC#CC(CCCCC)OCC=C
InChIInChI=1S/C11H18O/c1-4-7-8-9-11(6-3)12-10-5-2/h3,5,11H,2,4,7-10H2,1H3
InChIKeyLTNCPTAWCPARCH-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds7

About 3-prop-2-enoxyoct-1-yne

3-prop-2-enoxyoct-1-yne (PubChem CID 11126647) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-prop-2-enoxyoct-1-yne.

Molecular Properties

Compound Name3-prop-2-enoxyoct-1-yne
PubChem CID11126647
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-prop-2-enoxyoct-1-yne
SMILESC#CC(CCCCC)OCC=C
InChIInChI=1S/C11H18O/c1-4-7-8-9-11(6-3)12-10-5-2/h3,5,11H,2,4,7-10H2,1H3
InChIKeyLTNCPTAWCPARCH-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

3-ethoxyoct-1-yne
CID 20555693
(3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne
CID 11107774
2-prop-2-enoxyheptane
CID 142701865
1,1-bis(prop-2-enoxy)nonane
CID 123908723
4-prop-2-enoxydecane
CID 102003307
trimethyl-[(3R)-oct-1-yn-3-yl]oxysilane
CID 129404520
2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane
CID 123893001
oct-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 10869775
(E)-4-methyl-5-prop-2-enoxydec-3-ene
CID 23037223
(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne
CID 134840075
bromomethyl-dimethyl-oct-1-yn-3-yloxysilane
CID 10333708
5-ethenoxy-13-prop-2-enoxyheptadecane
CID 126747600

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxyoct-1-yne?
The IUPAC name of 3-prop-2-enoxyoct-1-yne (CID 11126647) is 3-prop-2-enoxyoct-1-yne.
What is the SMILES notation for 3-prop-2-enoxyoct-1-yne?
The canonical SMILES for 3-prop-2-enoxyoct-1-yne is C#CC(CCCCC)OCC=C.
What is the InChIKey of 3-prop-2-enoxyoct-1-yne?
The InChIKey is LTNCPTAWCPARCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-7-8-9-11(6-3)12-10-5-2/h3,5,11H,2,4,7-10H2,1H3.
What are the key properties of 3-prop-2-enoxyoct-1-yne?
3-prop-2-enoxyoct-1-yne has a molecular weight of 166.26 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxyoct-1-yne is sourced from PubChem (CID 11126647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).