1-butoxy-2-prop-2-enyl-4-propoxybenzene

C16H24O2 — CID 24770792

IUPAC1-butoxy-2-prop-2-enyl-4-propoxybenzene
SMILESC=CCc1cc(OCCC)ccc1OCCCC
InChIInChI=1S/C16H24O2/c1-4-7-12-18-16-10-9-15(17-11-6-3)13-14(16)8-5-2/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3
InChIKeyRKTMOBCSZXQCCR-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.38
Rot. Bonds9

About 1-butoxy-2-prop-2-enyl-4-propoxybenzene

1-butoxy-2-prop-2-enyl-4-propoxybenzene (PubChem CID 24770792) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-butoxy-2-prop-2-enyl-4-propoxybenzene.

Molecular Properties

Compound Name1-butoxy-2-prop-2-enyl-4-propoxybenzene
PubChem CID24770792
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-butoxy-2-prop-2-enyl-4-propoxybenzene
SMILESC=CCc1cc(OCCC)ccc1OCCCC
InChIInChI=1S/C16H24O2/c1-4-7-12-18-16-10-9-15(17-11-6-3)13-14(16)8-5-2/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3
InChIKeyRKTMOBCSZXQCCR-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.38
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-butoxy-2-prop-2-enyl-4-propoxybenzene?
The IUPAC name of 1-butoxy-2-prop-2-enyl-4-propoxybenzene (CID 24770792) is 1-butoxy-2-prop-2-enyl-4-propoxybenzene.
What is the SMILES notation for 1-butoxy-2-prop-2-enyl-4-propoxybenzene?
The canonical SMILES for 1-butoxy-2-prop-2-enyl-4-propoxybenzene is C=CCc1cc(OCCC)ccc1OCCCC.
What is the InChIKey of 1-butoxy-2-prop-2-enyl-4-propoxybenzene?
The InChIKey is RKTMOBCSZXQCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-7-12-18-16-10-9-15(17-11-6-3)13-14(16)8-5-2/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3.
What are the key properties of 1-butoxy-2-prop-2-enyl-4-propoxybenzene?
1-butoxy-2-prop-2-enyl-4-propoxybenzene has a molecular weight of 248.37 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-prop-2-enyl-4-propoxybenzene is sourced from PubChem (CID 24770792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).