3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene

C11H20O — CID 566373

IUPAC3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene
SMILESCC1C=C(OC(C)(C)C)CCC1
InChIInChI=1S/C11H20O/c1-9-6-5-7-10(8-9)12-11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyLNFFARVHBDBDOX-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds1

About 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene

3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene (PubChem CID 566373) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene.

Molecular Properties

Compound Name3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene
PubChem CID566373
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene
SMILESCC1C=C(OC(C)(C)C)CCC1
InChIInChI=1S/C11H20O/c1-9-6-5-7-10(8-9)12-11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyLNFFARVHBDBDOX-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene (CID 566373) is 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene.
What is the SMILES notation for 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The canonical SMILES for 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene is CC1C=C(OC(C)(C)C)CCC1.
What is the InChIKey of 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The InChIKey is LNFFARVHBDBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9-6-5-7-10(8-9)12-11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene?
3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene is sourced from PubChem (CID 566373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).