4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene

C16H22O2 — CID 24770216

IUPAC4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
SMILESC=CCOc1cc(OCCCC)ccc1CC=C
InChIInChI=1S/C16H22O2/c1-4-7-12-17-15-10-9-14(8-5-2)16(13-15)18-11-6-3/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyNDFPBVTYMOTDHH-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.16
Rot. Bonds9

About 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene

4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene (PubChem CID 24770216) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene.

Molecular Properties

Compound Name4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
PubChem CID24770216
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
SMILESC=CCOc1cc(OCCCC)ccc1CC=C
InChIInChI=1S/C16H22O2/c1-4-7-12-17-15-10-9-14(8-5-2)16(13-15)18-11-6-3/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyNDFPBVTYMOTDHH-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.16
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

4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089
2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene
CID 24770649
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63062650
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
4-hexoxy-2-prop-2-enylphenol;methane
CID 70388285
4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 145079777
(2,4-dipentoxyphenyl)methanol
CID 54794877
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
3-prop-2-enoxy-4-prop-2-enylphenol
CID 14888956
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene?
The IUPAC name of 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene (CID 24770216) is 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene.
What is the SMILES notation for 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene?
The canonical SMILES for 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene is C=CCOc1cc(OCCCC)ccc1CC=C.
What is the InChIKey of 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene?
The InChIKey is NDFPBVTYMOTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-4-7-12-17-15-10-9-14(8-5-2)16(13-15)18-11-6-3/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene?
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene has a molecular weight of 246.35 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene is sourced from PubChem (CID 24770216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).