[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene

C16H22O2 — CID 101068090

IUPAC[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene
SMILESCOCCO[C@H](C1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H22O2/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-10,16H,3,6-7,11-13H2,1H3/t16-/m0/s1
InChIKeyWSMZGJKBKIDMFB-INIZCTEOSA-N
MW246.35 g/mol
LogP3.89
Rot. Bonds6

About [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene

[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene (PubChem CID 101068090) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene.

Molecular Properties

Compound Name[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene
PubChem CID101068090
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene
SMILESCOCCO[C@H](C1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H22O2/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-10,16H,3,6-7,11-13H2,1H3/t16-/m0/s1
InChIKeyWSMZGJKBKIDMFB-INIZCTEOSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene
CID 101068109
[(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene
CID 101125832
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
CID 106657944
[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
1-(cyclohexen-1-yl)-2,2-diphenylethanol
CID 107292880
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 106654780
[hydroperoxy(2-methoxyethoxy)methyl]benzene
CID 10512152
1-(cyclohexen-1-yl)-3-hydroxy-3-phenylpropan-1-olate
CID 163845354

Frequently Asked Questions

What is the IUPAC name of [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene?
The IUPAC name of [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene (CID 101068090) is [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene.
What is the SMILES notation for [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene?
The canonical SMILES for [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene is COCCO[C@H](C1=CCCCC1)c1ccccc1.
What is the InChIKey of [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene?
The InChIKey is WSMZGJKBKIDMFB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22O2/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-10,16H,3,6-7,11-13H2,1H3/t16-/m0/s1.
What are the key properties of [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene?
[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene has a molecular weight of 246.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene is sourced from PubChem (CID 101068090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).