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

C17H26O2 — CID 24770649

IUPAC2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene
SMILESC=CCc1ccc(OCCC)cc1OCCC(C)C
InChIInChI=1S/C17H26O2/c1-5-7-15-8-9-16(18-11-6-2)13-17(15)19-12-10-14(3)4/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3
InChIKeyAKNVAJDNHDRYLV-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.63
Rot. Bonds9

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

2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene (PubChem CID 24770649) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene
PubChem CID24770649
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene
SMILESC=CCc1ccc(OCCC)cc1OCCC(C)C
InChIInChI=1S/C17H26O2/c1-5-7-15-8-9-16(18-11-6-2)13-17(15)19-12-10-14(3)4/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3
InChIKeyAKNVAJDNHDRYLV-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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Related Compounds

4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
4-(3-methylbutoxy)-2-prop-2-enylphenol
CID 24770421
2-(3-methylbutoxy)-1-prop-2-enyl-3-propoxybenzene
CID 24770494
1-(chloromethyl)-2-[2-(3-methylbutoxy)ethoxy]-4-propoxybenzene
CID 63534676
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
1-[4-(3-methylbutoxy)-3-prop-2-enylphenyl]propan-1-amine
CID 54849551
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]-4-propoxybenzene
CID 106453976
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63062650

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene?
The IUPAC name of 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene (CID 24770649) is 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene.
What is the SMILES notation for 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene?
The canonical SMILES for 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene is C=CCc1ccc(OCCC)cc1OCCC(C)C.
What is the InChIKey of 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene?
The InChIKey is AKNVAJDNHDRYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-7-15-8-9-16(18-11-6-2)13-17(15)19-12-10-14(3)4/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3.
What are the key properties of 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene?
2-(3-methylbutoxy)-1-prop-2-enyl-4-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 2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene is sourced from PubChem (CID 24770649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).