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

C11H20O — CID 102332490

IUPAC4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene
SMILESCC1CC=C(OC(C)(C)C)CC1
InChIInChI=1S/C11H20O/c1-9-5-7-10(8-6-9)12-11(2,3)4/h7,9H,5-6,8H2,1-4H3
InChIKeyFWYBLCUCVJLLCP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds1

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

4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene (PubChem CID 102332490) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene.

Molecular Properties

Compound Name4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene
PubChem CID102332490
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene
SMILESCC1CC=C(OC(C)(C)C)CC1
InChIInChI=1S/C11H20O/c1-9-5-7-10(8-6-9)12-11(2,3)4/h7,9H,5-6,8H2,1-4H3
InChIKeyFWYBLCUCVJLLCP-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 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene (CID 102332490) is 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene.
What is the SMILES notation for 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The canonical SMILES for 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene is CC1CC=C(OC(C)(C)C)CC1.
What is the InChIKey of 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The InChIKey is FWYBLCUCVJLLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9-5-7-10(8-6-9)12-11(2,3)4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene?
4-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 4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene is sourced from PubChem (CID 102332490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).