1,4-dibutoxy-2-prop-2-enylbenzene

C17H26O2 — CID 24770793

IUPAC1,4-dibutoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCCCC)ccc1OCCCC
InChIInChI=1S/C17H26O2/c1-4-7-12-18-16-10-11-17(19-13-8-5-2)15(14-16)9-6-3/h6,10-11,14H,3-5,7-9,12-13H2,1-2H3
InChIKeyFRYVUEFNXSQWEW-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.77
Rot. Bonds10

About 1,4-dibutoxy-2-prop-2-enylbenzene

1,4-dibutoxy-2-prop-2-enylbenzene (PubChem CID 24770793) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1,4-dibutoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1,4-dibutoxy-2-prop-2-enylbenzene
PubChem CID24770793
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1,4-dibutoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCCCC)ccc1OCCCC
InChIInChI=1S/C17H26O2/c1-4-7-12-18-16-10-11-17(19-13-8-5-2)15(14-16)9-6-3/h6,10-11,14H,3-5,7-9,12-13H2,1-2H3
InChIKeyFRYVUEFNXSQWEW-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.77
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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Frequently Asked Questions

What is the IUPAC name of 1,4-dibutoxy-2-prop-2-enylbenzene?
The IUPAC name of 1,4-dibutoxy-2-prop-2-enylbenzene (CID 24770793) is 1,4-dibutoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1,4-dibutoxy-2-prop-2-enylbenzene?
The canonical SMILES for 1,4-dibutoxy-2-prop-2-enylbenzene is C=CCc1cc(OCCCC)ccc1OCCCC.
What is the InChIKey of 1,4-dibutoxy-2-prop-2-enylbenzene?
The InChIKey is FRYVUEFNXSQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-7-12-18-16-10-11-17(19-13-8-5-2)15(14-16)9-6-3/h6,10-11,14H,3-5,7-9,12-13H2,1-2H3.
What are the key properties of 1,4-dibutoxy-2-prop-2-enylbenzene?
1,4-dibutoxy-2-prop-2-enylbenzene has a molecular weight of 262.39 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 24770793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).