1-octoxy-3-prop-2-enoxybenzene

C17H26O2 — CID 14202237

IUPAC1-octoxy-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(OCCCCCCCC)c1
InChIInChI=1S/C17H26O2/c1-3-5-6-7-8-9-14-19-17-12-10-11-16(15-17)18-13-4-2/h4,10-12,15H,2-3,5-9,13-14H2,1H3
InChIKeyDXRHDEYZGQWEEL-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.99
Rot. Bonds11

About 1-octoxy-3-prop-2-enoxybenzene

1-octoxy-3-prop-2-enoxybenzene (PubChem CID 14202237) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-octoxy-3-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-octoxy-3-prop-2-enoxybenzene
PubChem CID14202237
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-octoxy-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(OCCCCCCCC)c1
InChIInChI=1S/C17H26O2/c1-3-5-6-7-8-9-14-19-17-12-10-11-16(15-17)18-13-4-2/h4,10-12,15H,2-3,5-9,13-14H2,1H3
InChIKeyDXRHDEYZGQWEEL-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.99
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

1,3-dihexadecoxybenzene
CID 12686834
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-(methoxymethoxy)-3-octoxybenzene
CID 175530197
penta-1,4-diene;pentoxybenzene
CID 174999180
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-pentadecoxybenzene
CID 154641822
3-dodecoxyphenol
CID 15719132
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
tris(3-tetradecoxyphenyl) phosphate
CID 139759715
sodium 3-octoxyphenolate
CID 159078373
1-butoxy-2-propoxybenzene;1-ethoxy-4-methoxybenzene;1-methoxy-4-propoxybenzene;1-prop-2-enoxy-2-propoxybenzene;1-prop-2-enoxy-3-propoxybenzene;1-prop-2-enoxy-4-propoxybenzene
CID 161131960

Frequently Asked Questions

What is the IUPAC name of 1-octoxy-3-prop-2-enoxybenzene?
The IUPAC name of 1-octoxy-3-prop-2-enoxybenzene (CID 14202237) is 1-octoxy-3-prop-2-enoxybenzene.
What is the SMILES notation for 1-octoxy-3-prop-2-enoxybenzene?
The canonical SMILES for 1-octoxy-3-prop-2-enoxybenzene is C=CCOc1cccc(OCCCCCCCC)c1.
What is the InChIKey of 1-octoxy-3-prop-2-enoxybenzene?
The InChIKey is DXRHDEYZGQWEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-5-6-7-8-9-14-19-17-12-10-11-16(15-17)18-13-4-2/h4,10-12,15H,2-3,5-9,13-14H2,1H3.
What are the key properties of 1-octoxy-3-prop-2-enoxybenzene?
1-octoxy-3-prop-2-enoxybenzene has a molecular weight of 262.39 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxy-3-prop-2-enoxybenzene is sourced from PubChem (CID 14202237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).