1-(4-octoxyhexoxy)nonane

C23H48O2 — CID 173430678

IUPAC1-(4-octoxyhexoxy)nonane
SMILESCCCCCCCCCOCCCC(CC)OCCCCCCCC
InChIInChI=1S/C23H48O2/c1-4-7-9-11-13-14-16-20-24-21-18-19-23(6-3)25-22-17-15-12-10-8-5-2/h23H,4-22H2,1-3H3
InChIKeyFKHZBVUIMVUXDZ-UHFFFAOYSA-N
MW356.64 g/mol
LogP7.69
Rot. Bonds21

About 1-(4-octoxyhexoxy)nonane

1-(4-octoxyhexoxy)nonane (PubChem CID 173430678) has the molecular formula C23H48O2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 1-(4-octoxyhexoxy)nonane.

Molecular Properties

Compound Name1-(4-octoxyhexoxy)nonane
PubChem CID173430678
Molecular FormulaC23H48O2
Molecular Weight356.64 g/mol
Exact Mass356.37
IUPAC Name1-(4-octoxyhexoxy)nonane
SMILESCCCCCCCCCOCCCC(CC)OCCCCCCCC
InChIInChI=1S/C23H48O2/c1-4-7-9-11-13-14-16-20-24-21-18-19-23(6-3)25-22-17-15-12-10-8-5-2/h23H,4-22H2,1-3H3
InChIKeyFKHZBVUIMVUXDZ-UHFFFAOYSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 123502949
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CID 142711236
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5-butoxy-1-ethoxyheptane
CID 57247506
1-(2-dodecoxydecoxy)dodecane
CID 175347971
3-nonoxypentan-1-ol
CID 141114457
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-(3-dodecoxybutoxy)dodecane
CID 173358855

Frequently Asked Questions

What is the IUPAC name of 1-(4-octoxyhexoxy)nonane?
The IUPAC name of 1-(4-octoxyhexoxy)nonane (CID 173430678) is 1-(4-octoxyhexoxy)nonane.
What is the SMILES notation for 1-(4-octoxyhexoxy)nonane?
The canonical SMILES for 1-(4-octoxyhexoxy)nonane is CCCCCCCCCOCCCC(CC)OCCCCCCCC.
What is the InChIKey of 1-(4-octoxyhexoxy)nonane?
The InChIKey is FKHZBVUIMVUXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2/c1-4-7-9-11-13-14-16-20-24-21-18-19-23(6-3)25-22-17-15-12-10-8-5-2/h23H,4-22H2,1-3H3.
What are the key properties of 1-(4-octoxyhexoxy)nonane?
1-(4-octoxyhexoxy)nonane has a molecular weight of 356.64 g/mol, XLogP of 7.69, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-octoxyhexoxy)nonane is sourced from PubChem (CID 173430678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).