2-hex-1-ynyl-6-methoxyoxane

C12H20O2 — CID 10997936

IUPAC2-hex-1-ynyl-6-methoxyoxane
SMILESCCCCC#CC1CCCC(OC)O1
InChIInChI=1S/C12H20O2/c1-3-4-5-6-8-11-9-7-10-12(13-2)14-11/h11-12H,3-5,7,9-10H2,1-2H3
InChIKeyZVANFRQVPADOQH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.72
Rot. Bonds3

About 2-hex-1-ynyl-6-methoxyoxane

2-hex-1-ynyl-6-methoxyoxane (PubChem CID 10997936) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-hex-1-ynyl-6-methoxyoxane.

Molecular Properties

Compound Name2-hex-1-ynyl-6-methoxyoxane
PubChem CID10997936
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-hex-1-ynyl-6-methoxyoxane
SMILESCCCCC#CC1CCCC(OC)O1
InChIInChI=1S/C12H20O2/c1-3-4-5-6-8-11-9-7-10-12(13-2)14-11/h11-12H,3-5,7,9-10H2,1-2H3
InChIKeyZVANFRQVPADOQH-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hex-1-ynyloxirane
CID 13226363
2-oct-1-ynyloxolane
CID 15274342
(2R)-2-ethyl-6-methoxyoxane
CID 15250108
2-dodeca-2,7-diynoxyoxane
CID 57283725
(5-hex-1-ynyloxolan-2-yl)-triphenylphosphanium tetrafluoroborate
CID 11533403
cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane
CID 15441434
(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol
CID 13108348
dodec-1-ynylcycloheptane
CID 11579803
methanol;2-methoxy-6-methyloxane
CID 143625427
2-butyl-4-methoxy-1,3-dioxolane
CID 174705925
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(2R,6R)-2-tert-butyl-6-methoxyoxane
CID 12740301

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynyl-6-methoxyoxane?
The IUPAC name of 2-hex-1-ynyl-6-methoxyoxane (CID 10997936) is 2-hex-1-ynyl-6-methoxyoxane.
What is the SMILES notation for 2-hex-1-ynyl-6-methoxyoxane?
The canonical SMILES for 2-hex-1-ynyl-6-methoxyoxane is CCCCC#CC1CCCC(OC)O1.
What is the InChIKey of 2-hex-1-ynyl-6-methoxyoxane?
The InChIKey is ZVANFRQVPADOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-5-6-8-11-9-7-10-12(13-2)14-11/h11-12H,3-5,7,9-10H2,1-2H3.
What are the key properties of 2-hex-1-ynyl-6-methoxyoxane?
2-hex-1-ynyl-6-methoxyoxane has a molecular weight of 196.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynyl-6-methoxyoxane is sourced from PubChem (CID 10997936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).