4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene

C13H18O2 — CID 145107879

IUPAC4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene
SMILESC=CCOc1cc(C)ccc1OC(C)C
InChIInChI=1S/C13H18O2/c1-5-8-14-13-9-11(4)6-7-12(13)15-10(2)3/h5-7,9-10H,1,8H2,2-4H3
InChIKeyRGNLWXYMVTWOQP-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.35
Rot. Bonds5

About 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene

4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene (PubChem CID 145107879) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene
PubChem CID145107879
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene
SMILESC=CCOc1cc(C)ccc1OC(C)C
InChIInChI=1S/C13H18O2/c1-5-8-14-13-9-11(4)6-7-12(13)15-10(2)3/h5-7,9-10H,1,8H2,2-4H3
InChIKeyRGNLWXYMVTWOQP-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.35
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-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene?
The IUPAC name of 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene (CID 145107879) is 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene.
What is the SMILES notation for 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene?
The canonical SMILES for 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene is C=CCOc1cc(C)ccc1OC(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene?
The InChIKey is RGNLWXYMVTWOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-8-14-13-9-11(4)6-7-12(13)15-10(2)3/h5-7,9-10H,1,8H2,2-4H3.
What are the key properties of 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene?
4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene has a molecular weight of 206.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene is sourced from PubChem (CID 145107879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).