(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane

C23H38O3 — CID 11164361

IUPAC(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane
SMILESCCCCCCCCC[C@@]1(COCc2ccccc2)CCCC(OC)O1
InChIInChI=1S/C23H38O3/c1-3-4-5-6-7-8-12-17-23(18-13-16-22(24-2)26-23)20-25-19-21-14-10-9-11-15-21/h9-11,14-15,22H,3-8,12-13,16-20H2,1-2H3/t22?,23-/m0/s1
InChIKeyNZLWRAVTTDBYNE-WCSIJFPASA-N
MW362.55 g/mol
LogP6.26
Rot. Bonds13

About (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane

(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane (PubChem CID 11164361) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane
PubChem CID11164361
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane
SMILESCCCCCCCCC[C@@]1(COCc2ccccc2)CCCC(OC)O1
InChIInChI=1S/C23H38O3/c1-3-4-5-6-7-8-12-17-23(18-13-16-22(24-2)26-23)20-25-19-21-14-10-9-11-15-21/h9-11,14-15,22H,3-8,12-13,16-20H2,1-2H3/t22?,23-/m0/s1
InChIKeyNZLWRAVTTDBYNE-WCSIJFPASA-N
XLogP6.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane 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

3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 124677262
(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
CID 15293543
(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 124677269
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
CID 102021945
(2R,5S)-2-ethyl-5-phenyl-2-(phenylmethoxymethyl)oxolane
CID 7832534
azane;hexoxymethylbenzene
CID 174805489
tetradecyl 2-[(2S,5R)-5-[(4-methoxyphenoxy)methyl]-5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 10817094
6-ethyl-6-(phenylmethoxymethyl)oxasilinane
CID 175144224
5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
CID 172728928
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane (CID 11164361) is (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane is CCCCCCCCC[C@@]1(COCc2ccccc2)CCCC(OC)O1.
What is the InChIKey of (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane?
The InChIKey is NZLWRAVTTDBYNE-WCSIJFPASA-N. The full InChI is InChI=1S/C23H38O3/c1-3-4-5-6-7-8-12-17-23(18-13-16-22(24-2)26-23)20-25-19-21-14-10-9-11-15-21/h9-11,14-15,22H,3-8,12-13,16-20H2,1-2H3/t22?,23-/m0/s1.
What are the key properties of (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane?
(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane has a molecular weight of 362.55 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 11164361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).