1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene

C12H22O2 — CID 24976002

IUPAC1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene
SMILESCOCC1=CCC(C(C)(C)OC)CC1
InChIInChI=1S/C12H22O2/c1-12(2,14-4)11-7-5-10(6-8-11)9-13-3/h5,11H,6-9H2,1-4H3
InChIKeyFDJPFLBUFPOVRB-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.78
Rot. Bonds4

About 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene

1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene (PubChem CID 24976002) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene
PubChem CID24976002
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene
SMILESCOCC1=CCC(C(C)(C)OC)CC1
InChIInChI=1S/C12H22O2/c1-12(2,14-4)11-7-5-10(6-8-11)9-13-3/h5,11H,6-9H2,1-4H3
InChIKeyFDJPFLBUFPOVRB-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20268659
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
Myrtenyl methyl ether
CID 15775107
(S-(R*,S*))-2-Methyl-2-(4-methylcyclohex-3-enyl)oxirane
CID 119634
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
(-)-Oleuropeyl alcohol
CID 44566704
Methyl piperitol
CID 12284330
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene
CID 377296

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene?
The IUPAC name of 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene (CID 24976002) is 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene.
What is the SMILES notation for 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene?
The canonical SMILES for 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene is COCC1=CCC(C(C)(C)OC)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene?
The InChIKey is FDJPFLBUFPOVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2,14-4)11-7-5-10(6-8-11)9-13-3/h5,11H,6-9H2,1-4H3.
What are the key properties of 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene?
1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene has a molecular weight of 198.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(2-methoxypropan-2-yl)cyclohexene is sourced from PubChem (CID 24976002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).