(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol

C23H38O3 — CID 11545059

IUPAC(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](COCc2ccccc2)O1
InChIInChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-12-15-22(24)23-17-16-21(26-23)19-25-18-20-13-10-9-11-14-20/h9-11,13-14,21-24H,2-8,12,15-19H2,1H3/t21-,22-,23-/m1/s1
InChIKeyWXFTZEDZNRRTBO-DNVJHFABSA-N
MW362.55 g/mol
LogP5.64
Rot. Bonds14

About (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol

(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol (PubChem CID 11545059) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
PubChem CID11545059
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](COCc2ccccc2)O1
InChIInChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-12-15-22(24)23-17-16-21(26-23)19-25-18-20-13-10-9-11-14-20/h9-11,13-14,21-24H,2-8,12,15-19H2,1H3/t21-,22-,23-/m1/s1
InChIKeyWXFTZEDZNRRTBO-DNVJHFABSA-N
XLogP5.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735
ethyl (2S,3R,6S)-2,3-dihydroxy-6-(methoxymethoxy)-6-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]hexanoate
CID 10884421
(1R)-1-[(2R,3R)-3-[2-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethynyl]oxiran-2-yl]pentadecan-1-ol
CID 46863369
(1R,3R)-1-[(2R,5R)-5-[(1R)-1-phenylmethoxyundecyl]oxolan-2-yl]pent-4-ene-1,3-diol
CID 16756044
butyl 2-[(2R,6S)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 102144353
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
CID 2793780
2-[[5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-N,N-dipropylacetamide
CID 12888743

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol?
The IUPAC name of (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol (CID 11545059) is (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol.
What is the SMILES notation for (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol?
The canonical SMILES for (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol is CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](COCc2ccccc2)O1.
What is the InChIKey of (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol?
The InChIKey is WXFTZEDZNRRTBO-DNVJHFABSA-N. The full InChI is InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-12-15-22(24)23-17-16-21(26-23)19-25-18-20-13-10-9-11-14-20/h9-11,13-14,21-24H,2-8,12,15-19H2,1H3/t21-,22-,23-/m1/s1.
What are the key properties of (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol?
(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol has a molecular weight of 362.55 g/mol, XLogP of 5.64, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol is sourced from PubChem (CID 11545059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).