[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene

C14H20O2 — CID 102019429

IUPAC[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene
SMILESCCO[C@]1(C)C[C@@]1(OCC)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-15-13(3)11-14(13,16-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/t13-,14-/m1/s1
InChIKeyWCIUVRUHGUQSQY-ZIAGYGMSSA-N
MW220.31 g/mol
LogP3.12
Rot. Bonds5

About [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene

[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene (PubChem CID 102019429) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene
PubChem CID102019429
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene
SMILESCCO[C@]1(C)C[C@@]1(OCC)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-15-13(3)11-14(13,16-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/t13-,14-/m1/s1
InChIKeyWCIUVRUHGUQSQY-ZIAGYGMSSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[(1R,2R)-1-methyl-2-phenyl-2-trimethylsilyloxycyclopropyl]oxysilane
CID 102015524
(1S,2R,5S,6R)-2,6-diethoxy-1,5-dimethyl-2,6-diphenyl-3,7-dioxabicyclo[3.3.1]nonane
CID 101398010
1-ethoxy-4-phenylbicyclo[2.2.2]octane
CID 71328656
[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene
CID 130756421
2-ethoxy-2-phenyl-1,3-dioxane
CID 86143567
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
2-ethoxy-2-phenyl-1,3-dioxane-4,6-dione
CID 154445395
cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde
CID 70983966
9-ethoxy-9-phenyl-10H-acridine
CID 14400633
3-ethyl-2,2-diphenylphosphirene
CID 150297665
[2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene
CID 14924955
(1-propoxycyclobutyl)benzene
CID 57027852

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene?
The IUPAC name of [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene (CID 102019429) is [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene.
What is the SMILES notation for [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene?
The canonical SMILES for [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene is CCO[C@]1(C)C[C@@]1(OCC)c1ccccc1.
What is the InChIKey of [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene?
The InChIKey is WCIUVRUHGUQSQY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-15-13(3)11-14(13,16-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene?
[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene is sourced from PubChem (CID 102019429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).