6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene

C12H22O — CID 134866239

IUPAC6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene
SMILESCOCC1(C)C(C)=CCC(C)C1C
InChIInChI=1S/C12H22O/c1-9-6-7-10(2)12(4,8-13-5)11(9)3/h7,9,11H,6,8H2,1-5H3
InChIKeyDEICYHZVSDPPMX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.26
Rot. Bonds2

About 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene

6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene (PubChem CID 134866239) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene.

Molecular Properties

Compound Name6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene
PubChem CID134866239
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene
SMILESCOCC1(C)C(C)=CCC(C)C1C
InChIInChI=1S/C12H22O/c1-9-6-7-10(2)12(4,8-13-5)11(9)3/h7,9,11H,6,8H2,1-5H3
InChIKeyDEICYHZVSDPPMX-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 85755
Cyclogeranyl acetate
CID 539249
2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
2,6,6-Trimethylcyclohex-2-ene-1-methanol
CID 97932
Cyclohexene, 4-ethoxy-1-methyl-4-(1-methylethyl)-
CID 108303
Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-
CID 117385
3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-
CID 73556761
2-(2-Methoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 12547710
4-Methoxy-1-methyl-4-(propan-2-yl)cyclohex-1-ene
CID 71330304
1-Methyl-4-(2-propoxypropan-2-yl)cyclohex-1-ene
CID 12814399
(1S)-2,6,6-Trimethyl-2-cyclohexene-1-methanol
CID 10920730
[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methanol
CID 14432938

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene?
The IUPAC name of 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene (CID 134866239) is 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene.
What is the SMILES notation for 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene?
The canonical SMILES for 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene is COCC1(C)C(C)=CCC(C)C1C.
What is the InChIKey of 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene?
The InChIKey is DEICYHZVSDPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9-6-7-10(2)12(4,8-13-5)11(9)3/h7,9,11H,6,8H2,1-5H3.
What are the key properties of 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene?
6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene has a molecular weight of 182.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1,4,5,6-tetramethylcyclohexene is sourced from PubChem (CID 134866239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).