6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene

C12H22O2 — CID 552880

IUPAC6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene
SMILESCOC1CC(C(C)(C)OC)CC=C1C
InChIInChI=1S/C12H22O2/c1-9-6-7-10(8-11(9)13-4)12(2,3)14-5/h6,10-11H,7-8H2,1-5H3
InChIKeyWHWPOKMSVWNVQI-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.78
Rot. Bonds3

About 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene

6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene (PubChem CID 552880) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene.

Molecular Properties

Compound Name6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene
PubChem CID552880
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene
SMILESCOC1CC(C(C)(C)OC)CC=C1C
InChIInChI=1S/C12H22O2/c1-9-6-7-10(8-11(9)13-4)12(2,3)14-5/h6,10-11H,7-8H2,1-5H3
InChIKeyWHWPOKMSVWNVQI-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene?
The IUPAC name of 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene (CID 552880) is 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene.
What is the SMILES notation for 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene?
The canonical SMILES for 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene is COC1CC(C(C)(C)OC)CC=C1C.
What is the InChIKey of 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene?
The InChIKey is WHWPOKMSVWNVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-6-7-10(8-11(9)13-4)12(2,3)14-5/h6,10-11H,7-8H2,1-5H3.
What are the key properties of 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene?
6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene has a molecular weight of 198.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexene is sourced from PubChem (CID 552880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).