2-non-8-enoxyoxane

C14H26O2 — CID 85176970

IUPAC2-non-8-enoxyoxane
SMILESC=CCCCCCCCOC1CCCCO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h2,14H,1,3-13H2
InChIKeyIXTKNPOFHHJGPK-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds9

About 2-non-8-enoxyoxane

2-non-8-enoxyoxane (PubChem CID 85176970) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-non-8-enoxyoxane.

Molecular Properties

Compound Name2-non-8-enoxyoxane
PubChem CID85176970
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-non-8-enoxyoxane
SMILESC=CCCCCCCCOC1CCCCO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h2,14H,1,3-13H2
InChIKeyIXTKNPOFHHJGPK-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
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

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CID 86584457
2-((8E,10E)-8,10-Dodecadien-1-yloxy)tetrahydro-2H-pyran
CID 10978415
2H-Pyran, 2-[(7E)-7-dodecen-1-yloxy]tetrahydro-
CID 6437394
2H-Pyran, 2-(5-hexenyloxy)tetrahydro-
CID 11183036
1-(2-Tetrahydropyranyloxy)-7-octene
CID 20041421
2H-Pyran, tetrahydro-2-[(9E)-9-tetradecen-1-yloxy]-
CID 6437003
2H-Pyran, 2-[(8E)-8-dodecenyloxy]tetrahydro-
CID 6437906
2-[(9E)-9-Dodecen-1-yloxy]tetrahydro-2H-pyran
CID 14159698
2-Dec-9-en-3-ynoxyoxane
CID 49766182
2-[(8Z,10E)-dodeca-8,10-dienoxy]oxane
CID 134979907
2H-Pyran, tetrahydro-2-(9-tetradecen-1-yloxy)-
CID 103547
2H-Pyran, tetrahydro-2-((11E)-11-tetradecen-1-yloxy)-
CID 6436684

Frequently Asked Questions

What is the IUPAC name of 2-non-8-enoxyoxane?
The IUPAC name of 2-non-8-enoxyoxane (CID 85176970) is 2-non-8-enoxyoxane.
What is the SMILES notation for 2-non-8-enoxyoxane?
The canonical SMILES for 2-non-8-enoxyoxane is C=CCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-non-8-enoxyoxane?
The InChIKey is IXTKNPOFHHJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h2,14H,1,3-13H2.
What are the key properties of 2-non-8-enoxyoxane?
2-non-8-enoxyoxane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-8-enoxyoxane is sourced from PubChem (CID 85176970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).