[(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene

C16H22O2 — CID 101125832

IUPAC[(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene
SMILESCCOCO[C@H](C1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H22O2/c1-2-17-13-18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-11,16H,2,4,7-8,12-13H2,1H3/t16-/m0/s1
InChIKeySYQYGAYOZDFLIT-INIZCTEOSA-N
MW246.35 g/mol
LogP4.24
Rot. Bonds6

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

[(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene (PubChem CID 101125832) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene.

Molecular Properties

Compound Name[(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene
PubChem CID101125832
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene
SMILESCCOCO[C@H](C1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H22O2/c1-2-17-13-18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-11,16H,2,4,7-8,12-13H2,1H3/t16-/m0/s1
InChIKeySYQYGAYOZDFLIT-INIZCTEOSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene
CID 101068090
[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene
CID 101068109
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene
CID 131983554
1-(cyclohexen-1-yl)-2,2-diphenylethanol
CID 107292880
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
4-[cyclohexen-1-yl(phenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium iodide
CID 24842355
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
CID 106652812
1-(cyclohexen-1-yl)-3-hydroxy-3-phenylpropan-1-olate
CID 163845354
1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
CID 106657695
1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
CID 106653819

Frequently Asked Questions

What is the IUPAC name of [(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene?
The IUPAC name of [(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene (CID 101125832) is [(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene.
What is the SMILES notation for [(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene?
The canonical SMILES for [(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene is CCOCO[C@H](C1=CCCCC1)c1ccccc1.
What is the InChIKey of [(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene?
The InChIKey is SYQYGAYOZDFLIT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-17-13-18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-11,16H,2,4,7-8,12-13H2,1H3/t16-/m0/s1.
What are the key properties of [(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene?
[(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene has a molecular weight of 246.35 g/mol, XLogP of 4.24, 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(ethoxymethoxy)methyl]benzene is sourced from PubChem (CID 101125832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).