3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene

C11H18O2 — CID 140938961

IUPAC3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1C=CC(C)(OOC)CC1
InChIInChI=1S/C11H18O2/c1-9(2)10-5-7-11(3,8-6-10)13-12-4/h5,7,10H,1,6,8H2,2-4H3
InChIKeyPGYFFBPMCGFPAU-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.87
Rot. Bonds3

About 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene

3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene (PubChem CID 140938961) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene
PubChem CID140938961
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1C=CC(C)(OOC)CC1
InChIInChI=1S/C11H18O2/c1-9(2)10-5-7-11(3,8-6-10)13-12-4/h5,7,10H,1,6,8H2,2-4H3
InChIKeyPGYFFBPMCGFPAU-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
CID 562417
(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 12618691
1-[(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-yl]peroxydecan-1-ol
CID 140938948
argon;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 159755681
6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene
CID 167650322
(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 130265222
1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14263532
[(1S)-1-hydroxy-4-prop-1-en-2-ylcyclohex-2-en-1-yl]methyl acetate
CID 90382192
5-ethyl-2-[3-methyl-6-[1-(1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethenyl]cyclohex-2-en-1-yl]benzene-1,3-diol
CID 123179131
(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
CID 101145323
(4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 157276435
benzene-1,3,5-triol;(1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 165009870

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene?
The IUPAC name of 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene (CID 140938961) is 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene is C=C(C)C1C=CC(C)(OOC)CC1.
What is the InChIKey of 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene?
The InChIKey is PGYFFBPMCGFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)10-5-7-11(3,8-6-10)13-12-4/h5,7,10H,1,6,8H2,2-4H3.
What are the key properties of 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene?
3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene has a molecular weight of 182.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 140938961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).