1-(3-octoxypropoxy)nonane

C20H42O2 — CID 123372111

IUPAC1-(3-octoxypropoxy)nonane
SMILESCCCCCCCCCOCCCOCCCCCCCC
InChIInChI=1S/C20H42O2/c1-3-5-7-9-11-13-15-18-22-20-16-19-21-17-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyQIDBYDAOJYELAB-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.52
Rot. Bonds19

About 1-(3-octoxypropoxy)nonane

1-(3-octoxypropoxy)nonane (PubChem CID 123372111) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 1-(3-octoxypropoxy)nonane.

Molecular Properties

Compound Name1-(3-octoxypropoxy)nonane
PubChem CID123372111
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name1-(3-octoxypropoxy)nonane
SMILESCCCCCCCCCOCCCOCCCCCCCC
InChIInChI=1S/C20H42O2/c1-3-5-7-9-11-13-15-18-22-20-16-19-21-17-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyQIDBYDAOJYELAB-UHFFFAOYSA-N
XLogP6.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.52
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

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of 1-(3-octoxypropoxy)nonane?
The IUPAC name of 1-(3-octoxypropoxy)nonane (CID 123372111) is 1-(3-octoxypropoxy)nonane.
What is the SMILES notation for 1-(3-octoxypropoxy)nonane?
The canonical SMILES for 1-(3-octoxypropoxy)nonane is CCCCCCCCCOCCCOCCCCCCCC.
What is the InChIKey of 1-(3-octoxypropoxy)nonane?
The InChIKey is QIDBYDAOJYELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-3-5-7-9-11-13-15-18-22-20-16-19-21-17-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of 1-(3-octoxypropoxy)nonane?
1-(3-octoxypropoxy)nonane has a molecular weight of 314.55 g/mol, XLogP of 6.52, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-octoxypropoxy)nonane is sourced from PubChem (CID 123372111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).