9-(2-non-8-enoxypropoxy)non-1-ene

C21H40O2 — CID 168985455

IUPAC9-(2-non-8-enoxypropoxy)non-1-ene
SMILESC=CCCCCCCCOCC(C)OCCCCCCCC=C
InChIInChI=1S/C21H40O2/c1-4-6-8-10-12-14-16-18-22-20-21(3)23-19-17-15-13-11-9-7-5-2/h4-5,21H,1-2,6-20H2,3H3
InChIKeyKJPGJLAAFFJIQG-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.46
Rot. Bonds19

About 9-(2-non-8-enoxypropoxy)non-1-ene

9-(2-non-8-enoxypropoxy)non-1-ene (PubChem CID 168985455) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 9-(2-non-8-enoxypropoxy)non-1-ene.

Molecular Properties

Compound Name9-(2-non-8-enoxypropoxy)non-1-ene
PubChem CID168985455
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name9-(2-non-8-enoxypropoxy)non-1-ene
SMILESC=CCCCCCCCOCC(C)OCCCCCCCC=C
InChIInChI=1S/C21H40O2/c1-4-6-8-10-12-14-16-18-22-20-21(3)23-19-17-15-13-11-9-7-5-2/h4-5,21H,1-2,6-20H2,3H3
InChIKeyKJPGJLAAFFJIQG-UHFFFAOYSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.46
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

14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene
CID 123583402
1-(2-hexoxypropoxy)hexane
CID 71353992
1-[3-(3-hexadecoxy-2-hex-5-enoxypropyl)peroxy-2-hex-5-enoxypropoxy]hexadecane
CID 174471025
12-dodec-11-enoxydodec-1-ene
CID 87325659
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
6-(3-methylbutan-2-yloxy)hex-1-ene
CID 123623641
11-(1-ethoxyethoxy)undec-1-ene
CID 10900817
(2R)-2-hept-6-enoxypropanoic acid
CID 107005963
1-(2-propoxypropoxy)pentane
CID 22002926
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592

Frequently Asked Questions

What is the IUPAC name of 9-(2-non-8-enoxypropoxy)non-1-ene?
The IUPAC name of 9-(2-non-8-enoxypropoxy)non-1-ene (CID 168985455) is 9-(2-non-8-enoxypropoxy)non-1-ene.
What is the SMILES notation for 9-(2-non-8-enoxypropoxy)non-1-ene?
The canonical SMILES for 9-(2-non-8-enoxypropoxy)non-1-ene is C=CCCCCCCCOCC(C)OCCCCCCCC=C.
What is the InChIKey of 9-(2-non-8-enoxypropoxy)non-1-ene?
The InChIKey is KJPGJLAAFFJIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2/c1-4-6-8-10-12-14-16-18-22-20-21(3)23-19-17-15-13-11-9-7-5-2/h4-5,21H,1-2,6-20H2,3H3.
What are the key properties of 9-(2-non-8-enoxypropoxy)non-1-ene?
9-(2-non-8-enoxypropoxy)non-1-ene has a molecular weight of 324.55 g/mol, XLogP of 6.46, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-non-8-enoxypropoxy)non-1-ene is sourced from PubChem (CID 168985455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).