2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane

C15H28O2 — CID 14503600

IUPAC2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane
SMILESCC/C(C)=C/CC[C@@H](CC)OC1CCCCO1
InChIInChI=1S/C15H28O2/c1-4-13(3)9-8-10-14(5-2)17-15-11-6-7-12-16-15/h9,14-15H,4-8,10-12H2,1-3H3/b13-9+/t14-,15?/m1/s1
InChIKeyLQEFFYNKKHHWPW-NRJVKQNESA-N
MW240.39 g/mol
LogP4.44
Rot. Bonds7

About 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane

2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane (PubChem CID 14503600) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane
PubChem CID14503600
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane
SMILESCC/C(C)=C/CC[C@@H](CC)OC1CCCCO1
InChIInChI=1S/C15H28O2/c1-4-13(3)9-8-10-14(5-2)17-15-11-6-7-12-16-15/h9,14-15H,4-8,10-12H2,1-3H3/b13-9+/t14-,15?/m1/s1
InChIKeyLQEFFYNKKHHWPW-NRJVKQNESA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane?
The IUPAC name of 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane (CID 14503600) is 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane.
What is the SMILES notation for 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane?
The canonical SMILES for 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane is CC/C(C)=C/CC[C@@H](CC)OC1CCCCO1.
What is the InChIKey of 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane?
The InChIKey is LQEFFYNKKHHWPW-NRJVKQNESA-N. The full InChI is InChI=1S/C15H28O2/c1-4-13(3)9-8-10-14(5-2)17-15-11-6-7-12-16-15/h9,14-15H,4-8,10-12H2,1-3H3/b13-9+/t14-,15?/m1/s1.
What are the key properties of 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane?
2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane has a molecular weight of 240.39 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,3R)-7-methylnon-6-en-3-yl]oxyoxane is sourced from PubChem (CID 14503600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).