1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene

C15H22O2 — CID 67017554

IUPAC1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene
SMILESCC=Cc1cccc(OC(C)(C)OC(C)C)c1
InChIInChI=1S/C15H22O2/c1-6-8-13-9-7-10-14(11-13)17-15(4,5)16-12(2)3/h6-12H,1-5H3
InChIKeyALSYFBOTRBTVHK-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.26
Rot. Bonds5

About 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene

1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene (PubChem CID 67017554) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene.

Molecular Properties

Compound Name1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene
PubChem CID67017554
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene
SMILESCC=Cc1cccc(OC(C)(C)OC(C)C)c1
InChIInChI=1S/C15H22O2/c1-6-8-13-9-7-10-14(11-13)17-15(4,5)16-12(2)3/h6-12H,1-5H3
InChIKeyALSYFBOTRBTVHK-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene?
The IUPAC name of 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene (CID 67017554) is 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene.
What is the SMILES notation for 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene?
The canonical SMILES for 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene is CC=Cc1cccc(OC(C)(C)OC(C)C)c1.
What is the InChIKey of 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene?
The InChIKey is ALSYFBOTRBTVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-8-13-9-7-10-14(11-13)17-15(4,5)16-12(2)3/h6-12H,1-5H3.
What are the key properties of 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene?
1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene has a molecular weight of 234.34 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene is sourced from PubChem (CID 67017554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).