(2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane

C20H32O3 — CID 101462232

IUPAC(2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane
SMILESCCOC1C[C@H](C)[C@H](CCCCCCOCc2ccccc2)O1
InChIInChI=1S/C20H32O3/c1-3-22-20-15-17(2)19(23-20)13-9-4-5-10-14-21-16-18-11-7-6-8-12-18/h6-8,11-12,17,19-20H,3-5,9-10,13-16H2,1-2H3/t17-,19-,20?/m0/s1
InChIKeyXPARJVQTSSFIAB-CTCAENTCSA-N
MW320.47 g/mol
LogP4.94
Rot. Bonds11

About (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane

(2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane (PubChem CID 101462232) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane.

Molecular Properties

Compound Name(2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane
PubChem CID101462232
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane
SMILESCCOC1C[C@H](C)[C@H](CCCCCCOCc2ccccc2)O1
InChIInChI=1S/C20H32O3/c1-3-22-20-15-17(2)19(23-20)13-9-4-5-10-14-21-16-18-11-7-6-8-12-18/h6-8,11-12,17,19-20H,3-5,9-10,13-16H2,1-2H3/t17-,19-,20?/m0/s1
InChIKeyXPARJVQTSSFIAB-CTCAENTCSA-N
XLogP4.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 121434659
azane;hexoxymethylbenzene
CID 174805489
2-phenyl-3-(3-phenylmethoxypropyl)oxirane
CID 13389573
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(4R,5R)-4-heptyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 56594681
4-methyl-3-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 123315734

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane?
The IUPAC name of (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane (CID 101462232) is (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane.
What is the SMILES notation for (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane?
The canonical SMILES for (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane is CCOC1C[C@H](C)[C@H](CCCCCCOCc2ccccc2)O1.
What is the InChIKey of (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane?
The InChIKey is XPARJVQTSSFIAB-CTCAENTCSA-N. The full InChI is InChI=1S/C20H32O3/c1-3-22-20-15-17(2)19(23-20)13-9-4-5-10-14-21-16-18-11-7-6-8-12-18/h6-8,11-12,17,19-20H,3-5,9-10,13-16H2,1-2H3/t17-,19-,20?/m0/s1.
What are the key properties of (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane?
(2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane has a molecular weight of 320.47 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane is sourced from PubChem (CID 101462232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).