2-hex-2-ynoxyoxane

C11H18O2 — CID 11041365

IUPAC2-hex-2-ynoxyoxane
SMILESCCCC#CCOC1CCCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h11H,2-3,5,7-10H2,1H3
InChIKeySVUNYHYPDGDIPF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.33
Rot. Bonds3

About 2-hex-2-ynoxyoxane

2-hex-2-ynoxyoxane (PubChem CID 11041365) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-hex-2-ynoxyoxane.

Molecular Properties

Compound Name2-hex-2-ynoxyoxane
PubChem CID11041365
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-hex-2-ynoxyoxane
SMILESCCCC#CCOC1CCCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h11H,2-3,5,7-10H2,1H3
InChIKeySVUNYHYPDGDIPF-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodeca-2,7-diynoxyoxane
CID 57283725
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
CID 71335420
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
1-(oxan-2-yloxy)dec-2-yn-4-ol
CID 10944981
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
CID 94037813

Frequently Asked Questions

What is the IUPAC name of 2-hex-2-ynoxyoxane?
The IUPAC name of 2-hex-2-ynoxyoxane (CID 11041365) is 2-hex-2-ynoxyoxane.
What is the SMILES notation for 2-hex-2-ynoxyoxane?
The canonical SMILES for 2-hex-2-ynoxyoxane is CCCC#CCOC1CCCCO1.
What is the InChIKey of 2-hex-2-ynoxyoxane?
The InChIKey is SVUNYHYPDGDIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h11H,2-3,5,7-10H2,1H3.
What are the key properties of 2-hex-2-ynoxyoxane?
2-hex-2-ynoxyoxane has a molecular weight of 182.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-2-ynoxyoxane is sourced from PubChem (CID 11041365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).