(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane

C14H20O3 — CID 71070891

IUPAC(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
SMILESCOC1O[C@H](COCc2ccccc2)C[C@@H]1C
InChIInChI=1S/C14H20O3/c1-11-8-13(17-14(11)15-2)10-16-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13-,14?/m0/s1
InChIKeyRJOCYFFTMKRGDY-ULVQEXTCSA-N
MW236.31 g/mol
LogP2.60
Rot. Bonds5

About (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane

(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane (PubChem CID 71070891) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
PubChem CID71070891
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
SMILESCOC1O[C@H](COCc2ccccc2)C[C@@H]1C
InChIInChI=1S/C14H20O3/c1-11-8-13(17-14(11)15-2)10-16-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13-,14?/m0/s1
InChIKeyRJOCYFFTMKRGDY-ULVQEXTCSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane 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

(1R,2R,4S,6R)-2-methoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 10955968
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 91431609
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737
[3-methyl-5-(phenylmethoxymethyl)oxolan-2-yl] 4-nitrobenzoate
CID 143964092
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 101172024
(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 70223626
(2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane
CID 11269912
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 159970118
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane?
The IUPAC name of (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane (CID 71070891) is (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane is COC1O[C@H](COCc2ccccc2)C[C@@H]1C.
What is the InChIKey of (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane?
The InChIKey is RJOCYFFTMKRGDY-ULVQEXTCSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-8-13(17-14(11)15-2)10-16-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13-,14?/m0/s1.
What are the key properties of (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane?
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane has a molecular weight of 236.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 71070891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).