3-propan-2-yloxyhex-5-en-2-ylbenzene

C15H22O — CID 46868302

IUPAC3-propan-2-yloxyhex-5-en-2-ylbenzene
SMILESC=CCC(OC(C)C)C(C)c1ccccc1
InChIInChI=1S/C15H22O/c1-5-9-15(16-12(2)3)13(4)14-10-7-6-8-11-14/h5-8,10-13,15H,1,9H2,2-4H3
InChIKeyYWPYCDJQLXTQJG-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.16
Rot. Bonds6

About 3-propan-2-yloxyhex-5-en-2-ylbenzene

3-propan-2-yloxyhex-5-en-2-ylbenzene (PubChem CID 46868302) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-propan-2-yloxyhex-5-en-2-ylbenzene.

Molecular Properties

Compound Name3-propan-2-yloxyhex-5-en-2-ylbenzene
PubChem CID46868302
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-propan-2-yloxyhex-5-en-2-ylbenzene
SMILESC=CCC(OC(C)C)C(C)c1ccccc1
InChIInChI=1S/C15H22O/c1-5-9-15(16-12(2)3)13(4)14-10-7-6-8-11-14/h5-8,10-13,15H,1,9H2,2-4H3
InChIKeyYWPYCDJQLXTQJG-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-propan-2-yloxyhex-5-en-2-ylbenzene?
The IUPAC name of 3-propan-2-yloxyhex-5-en-2-ylbenzene (CID 46868302) is 3-propan-2-yloxyhex-5-en-2-ylbenzene.
What is the SMILES notation for 3-propan-2-yloxyhex-5-en-2-ylbenzene?
The canonical SMILES for 3-propan-2-yloxyhex-5-en-2-ylbenzene is C=CCC(OC(C)C)C(C)c1ccccc1.
What is the InChIKey of 3-propan-2-yloxyhex-5-en-2-ylbenzene?
The InChIKey is YWPYCDJQLXTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-9-15(16-12(2)3)13(4)14-10-7-6-8-11-14/h5-8,10-13,15H,1,9H2,2-4H3.
What are the key properties of 3-propan-2-yloxyhex-5-en-2-ylbenzene?
3-propan-2-yloxyhex-5-en-2-ylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxyhex-5-en-2-ylbenzene is sourced from PubChem (CID 46868302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).