3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene

C12H20O2 — CID 562417

IUPAC3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1C=CC(C)(OCOC)CC1
InChIInChI=1S/C12H20O2/c1-10(2)11-5-7-12(3,8-6-11)14-9-13-4/h5,7,11H,1,6,8-9H2,2-4H3
InChIKeyZODPWVRIVFMQFH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.91
Rot. Bonds4

About 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene

3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene (PubChem CID 562417) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
PubChem CID562417
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1C=CC(C)(OCOC)CC1
InChIInChI=1S/C12H20O2/c1-10(2)11-5-7-12(3,8-6-11)14-9-13-4/h5,7,11H,1,6,8-9H2,2-4H3
InChIKeyZODPWVRIVFMQFH-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene
CID 140938961
(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
(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
6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene
CID 167650322
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
[(1S,4S)-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl] buta-2,3-dienoate
CID 71770136
1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane
CID 10333803
(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
CID 101145323

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene?
The IUPAC name of 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene (CID 562417) is 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene is C=C(C)C1C=CC(C)(OCOC)CC1.
What is the InChIKey of 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene?
The InChIKey is ZODPWVRIVFMQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)11-5-7-12(3,8-6-11)14-9-13-4/h5,7,11H,1,6,8-9H2,2-4H3.
What are the key properties of 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene?
3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene has a molecular weight of 196.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 562417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).