2-oct-1-en-3-yloxyoxane

C13H24O2 — CID 10727282

IUPAC2-oct-1-en-3-yloxyoxane
SMILESC=CC(CCCCC)OC1CCCCO1
InChIInChI=1S/C13H24O2/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13/h4,12-13H,2-3,5-11H2,1H3
InChIKeySWAXKDRBUZMAQG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.66
Rot. Bonds7

About 2-oct-1-en-3-yloxyoxane

2-oct-1-en-3-yloxyoxane (PubChem CID 10727282) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-oct-1-en-3-yloxyoxane.

Molecular Properties

Compound Name2-oct-1-en-3-yloxyoxane
PubChem CID10727282
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-oct-1-en-3-yloxyoxane
SMILESC=CC(CCCCC)OC1CCCCO1
InChIInChI=1S/C13H24O2/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13/h4,12-13H,2-3,5-11H2,1H3
InChIKeySWAXKDRBUZMAQG-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.66
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'}

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Related Compounds

2-hept-1-en-3-yloxyoxane
CID 20796050
2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
CID 102392946
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane
CID 67865469
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
2-(4,4-dimethyloct-1-en-3-yloxy)oxane
CID 139643960
(1R,3R,4R)-2-methylidene-4-(oxan-2-yloxy)-3-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol
CID 57290182
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
2-undec-1-en-4-yn-3-yloxyoxane
CID 100948235
tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane
CID 44614682
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
CID 139677172

Frequently Asked Questions

What is the IUPAC name of 2-oct-1-en-3-yloxyoxane?
The IUPAC name of 2-oct-1-en-3-yloxyoxane (CID 10727282) is 2-oct-1-en-3-yloxyoxane.
What is the SMILES notation for 2-oct-1-en-3-yloxyoxane?
The canonical SMILES for 2-oct-1-en-3-yloxyoxane is C=CC(CCCCC)OC1CCCCO1.
What is the InChIKey of 2-oct-1-en-3-yloxyoxane?
The InChIKey is SWAXKDRBUZMAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of 2-oct-1-en-3-yloxyoxane?
2-oct-1-en-3-yloxyoxane has a molecular weight of 212.33 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-1-en-3-yloxyoxane is sourced from PubChem (CID 10727282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).