(2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane

C17H26O2 — CID 102265490

IUPAC(2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane
SMILESCCO[C@@H]1CC[C@](CCC(C)C)(c2ccccc2)O1
InChIInChI=1S/C17H26O2/c1-4-18-16-11-13-17(19-16,12-10-14(2)3)15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyYDHWRDHLXRQWNZ-DLBZAZTESA-N
MW262.39 g/mol
LogP4.49
Rot. Bonds6

About (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane

(2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane (PubChem CID 102265490) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane.

Molecular Properties

Compound Name(2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane
PubChem CID102265490
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane
SMILESCCO[C@@H]1CC[C@](CCC(C)C)(c2ccccc2)O1
InChIInChI=1S/C17H26O2/c1-4-18-16-11-13-17(19-16,12-10-14(2)3)15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyYDHWRDHLXRQWNZ-DLBZAZTESA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-oxaspiro[4.4]nonane
CID 549196
5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one
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2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101146425
(2,5-diethoxyoxolan-2-yl)methanol
CID 150634003
2-[5-(2-chlorophenyl)-5-ethyloxolan-2-yl]oxyethyl-trimethylazanium
CID 70392091
5-ethyl-2,2-diphenyloxolane
CID 102273075
(3aS,7aS)-2-ethyl-3a-phenyl-5,6,7,7a-tetrahydro-4H-1,3-benzoxazole
CID 139265684
(2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane
CID 132539205
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolan-2-ol
CID 102285704
[(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene
CID 166439838
(1S,3R,4R,7R)-3,7-diethoxy-1-phenyl-2-oxabicyclo[2.2.2]oct-5-ene
CID 101114413
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane?
The IUPAC name of (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane (CID 102265490) is (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane.
What is the SMILES notation for (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane?
The canonical SMILES for (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane is CCO[C@@H]1CC[C@](CCC(C)C)(c2ccccc2)O1.
What is the InChIKey of (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane?
The InChIKey is YDHWRDHLXRQWNZ-DLBZAZTESA-N. The full InChI is InChI=1S/C17H26O2/c1-4-18-16-11-13-17(19-16,12-10-14(2)3)15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane?
(2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane has a molecular weight of 262.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane is sourced from PubChem (CID 102265490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).