1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene

C13H24O — CID 68741216

IUPAC1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene
SMILESCC1=CCC(OC(C)(C)C)CCCC1
InChIInChI=1S/C13H24O/c1-11-7-5-6-8-12(10-9-11)14-13(2,3)4/h9,12H,5-8,10H2,1-4H3
InChIKeyBNFVVBAAZMZOKT-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.08
Rot. Bonds1

About 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene

1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene (PubChem CID 68741216) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene.

Molecular Properties

Compound Name1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene
PubChem CID68741216
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene
SMILESCC1=CCC(OC(C)(C)C)CCCC1
InChIInChI=1S/C13H24O/c1-11-7-5-6-8-12(10-9-11)14-13(2,3)4/h9,12H,5-8,10H2,1-4H3
InChIKeyBNFVVBAAZMZOKT-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.08
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 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene?
The IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene (CID 68741216) is 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene.
What is the SMILES notation for 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene?
The canonical SMILES for 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene is CC1=CCC(OC(C)(C)C)CCCC1.
What is the InChIKey of 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene?
The InChIKey is BNFVVBAAZMZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-11-7-5-6-8-12(10-9-11)14-13(2,3)4/h9,12H,5-8,10H2,1-4H3.
What are the key properties of 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene?
1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene has a molecular weight of 196.33 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene is sourced from PubChem (CID 68741216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).