4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene

C17H26O2 — CID 24770157

IUPAC4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene
SMILESC=CCc1cc(OCCC(C)C)ccc1OCCC
InChIInChI=1S/C17H26O2/c1-5-7-15-13-16(18-12-10-14(3)4)8-9-17(15)19-11-6-2/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3
InChIKeyVQUXYZGLWXEHJR-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.63
Rot. Bonds9

About 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene

4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene (PubChem CID 24770157) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene.

Molecular Properties

Compound Name4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene
PubChem CID24770157
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene
SMILESC=CCc1cc(OCCC(C)C)ccc1OCCC
InChIInChI=1S/C17H26O2/c1-5-7-15-13-16(18-12-10-14(3)4)8-9-17(15)19-11-6-2/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3
InChIKeyVQUXYZGLWXEHJR-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene?
The IUPAC name of 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene (CID 24770157) is 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene.
What is the SMILES notation for 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene?
The canonical SMILES for 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene is C=CCc1cc(OCCC(C)C)ccc1OCCC.
What is the InChIKey of 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene?
The InChIKey is VQUXYZGLWXEHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-7-15-13-16(18-12-10-14(3)4)8-9-17(15)19-11-6-2/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3.
What are the key properties of 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene?
4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene has a molecular weight of 262.39 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-2-prop-2-enyl-1-propoxybenzene is sourced from PubChem (CID 24770157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).