azane;1-ethoxy-3-pentoxybenzene

C13H23NO2 — CID 68858003

IUPACazane;1-ethoxy-3-pentoxybenzene
SMILESCCCCCOc1cccc(OCC)c1.N
InChIInChI=1S/C13H20O2.H3N/c1-3-5-6-10-15-13-9-7-8-12(11-13)14-4-2;/h7-9,11H,3-6,10H2,1-2H3;1H3
InChIKeyBOJZTODYMCKJIB-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.82
Rot. Bonds7

About azane;1-ethoxy-3-pentoxybenzene

azane;1-ethoxy-3-pentoxybenzene (PubChem CID 68858003) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is azane;1-ethoxy-3-pentoxybenzene.

Molecular Properties

Compound Nameazane;1-ethoxy-3-pentoxybenzene
PubChem CID68858003
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameazane;1-ethoxy-3-pentoxybenzene
SMILESCCCCCOc1cccc(OCC)c1.N
InChIInChI=1S/C13H20O2.H3N/c1-3-5-6-10-15-13-9-7-8-12(11-13)14-4-2;/h7-9,11H,3-6,10H2,1-2H3;1H3
InChIKeyBOJZTODYMCKJIB-UHFFFAOYSA-N
XLogP3.82
TPSA53.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihexadecoxybenzene
CID 12686834
1-(4-bromobutoxy)-3-ethoxybenzene
CID 62338454
1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
1-(methoxymethoxy)-3-octoxybenzene
CID 175530197
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-pentadecoxybenzene
CID 154641822
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
3-dodecoxyphenol
CID 15719132
tris(3-tetradecoxyphenyl) phosphate
CID 139759715
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478

Frequently Asked Questions

What is the IUPAC name of azane;1-ethoxy-3-pentoxybenzene?
The IUPAC name of azane;1-ethoxy-3-pentoxybenzene (CID 68858003) is azane;1-ethoxy-3-pentoxybenzene.
What is the SMILES notation for azane;1-ethoxy-3-pentoxybenzene?
The canonical SMILES for azane;1-ethoxy-3-pentoxybenzene is CCCCCOc1cccc(OCC)c1.N.
What is the InChIKey of azane;1-ethoxy-3-pentoxybenzene?
The InChIKey is BOJZTODYMCKJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.H3N/c1-3-5-6-10-15-13-9-7-8-12(11-13)14-4-2;/h7-9,11H,3-6,10H2,1-2H3;1H3.
What are the key properties of azane;1-ethoxy-3-pentoxybenzene?
azane;1-ethoxy-3-pentoxybenzene has a molecular weight of 225.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-ethoxy-3-pentoxybenzene is sourced from PubChem (CID 68858003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).