2-hepta-1,6-diynoxyoxane

C12H16O2 — CID 167093418

IUPAC2-hepta-1,6-diynoxyoxane
SMILESC#CCCCC#COC1CCCCO1
InChIInChI=1S/C12H16O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,12H,3-6,8-9,11H2
InChIKeyQTMMIBMLKBJEQU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.29
Rot. Bonds3

About 2-hepta-1,6-diynoxyoxane

2-hepta-1,6-diynoxyoxane (PubChem CID 167093418) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-hepta-1,6-diynoxyoxane.

Molecular Properties

Compound Name2-hepta-1,6-diynoxyoxane
PubChem CID167093418
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-hepta-1,6-diynoxyoxane
SMILESC#CCCCC#COC1CCCCO1
InChIInChI=1S/C12H16O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,12H,3-6,8-9,11H2
InChIKeyQTMMIBMLKBJEQU-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.29
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-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
1-bromopentane;2-dodeca-5,11-diynoxyoxane;octa-1,7-diyne
CID 161441664
2-dodeca-2,7-diynoxyoxane
CID 57283725
N-(oxan-2-yloxy)hex-5-ynamide
CID 163203741
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
CID 71335420
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(9-iodonon-8-ynoxy)oxane
CID 558907
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-penta-1,3-diynoxyoxane
CID 19438450
2-heptadec-13-ynoxyoxane
CID 11099777

Frequently Asked Questions

What is the IUPAC name of 2-hepta-1,6-diynoxyoxane?
The IUPAC name of 2-hepta-1,6-diynoxyoxane (CID 167093418) is 2-hepta-1,6-diynoxyoxane.
What is the SMILES notation for 2-hepta-1,6-diynoxyoxane?
The canonical SMILES for 2-hepta-1,6-diynoxyoxane is C#CCCCC#COC1CCCCO1.
What is the InChIKey of 2-hepta-1,6-diynoxyoxane?
The InChIKey is QTMMIBMLKBJEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,12H,3-6,8-9,11H2.
What are the key properties of 2-hepta-1,6-diynoxyoxane?
2-hepta-1,6-diynoxyoxane has a molecular weight of 192.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hepta-1,6-diynoxyoxane is sourced from PubChem (CID 167093418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).