(2S)-3-methoxy-2-octadecoxypropan-1-ol

C22H46O3 — CID 22837281

IUPAC(2S)-3-methoxy-2-octadecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCCCO[C@@H](CO)COC
InChIInChI=1S/C22H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(20-23)21-24-2/h22-23H,3-21H2,1-2H3/t22-/m0/s1
InChIKeyWIMZZJKYDSBJCF-QFIPXVFZSA-N
MW358.61 g/mol
LogP6.27
Rot. Bonds21

About (2S)-3-methoxy-2-octadecoxypropan-1-ol

(2S)-3-methoxy-2-octadecoxypropan-1-ol (PubChem CID 22837281) has the molecular formula C22H46O3 and a molecular weight of 358.61 g/mol. Its IUPAC name is (2S)-3-methoxy-2-octadecoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-3-methoxy-2-octadecoxypropan-1-ol
PubChem CID22837281
Molecular FormulaC22H46O3
Molecular Weight358.61 g/mol
Exact Mass358.34
IUPAC Name(2S)-3-methoxy-2-octadecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCCCO[C@@H](CO)COC
InChIInChI=1S/C22H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(20-23)21-24-2/h22-23H,3-21H2,1-2H3/t22-/m0/s1
InChIKeyWIMZZJKYDSBJCF-QFIPXVFZSA-N
XLogP6.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 56.27
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

3-(3-hydroxy-2-octadecoxypropoxy)-2-octadecoxypropan-1-ol
CID 25022460
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
2-hexadecoxypropane-1,3-diol
CID 12924931
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
3-(3-hydroxy-2-pentoxypropyl)peroxy-2-pentoxypropan-1-ol
CID 87368849
3-propan-2-yloxy-2-tetradecoxypropan-1-ol
CID 126584674
3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol
CID 54180430
3-(2-heptoxy-3-hydroxypropoxy)propane-1,2-diol
CID 87374955
2-dodecoxytridecan-1-ol
CID 23171962

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-octadecoxypropan-1-ol?
The IUPAC name of (2S)-3-methoxy-2-octadecoxypropan-1-ol (CID 22837281) is (2S)-3-methoxy-2-octadecoxypropan-1-ol.
What is the SMILES notation for (2S)-3-methoxy-2-octadecoxypropan-1-ol?
The canonical SMILES for (2S)-3-methoxy-2-octadecoxypropan-1-ol is CCCCCCCCCCCCCCCCCCO[C@@H](CO)COC.
What is the InChIKey of (2S)-3-methoxy-2-octadecoxypropan-1-ol?
The InChIKey is WIMZZJKYDSBJCF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(20-23)21-24-2/h22-23H,3-21H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-octadecoxypropan-1-ol?
(2S)-3-methoxy-2-octadecoxypropan-1-ol has a molecular weight of 358.61 g/mol, XLogP of 6.27, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-octadecoxypropan-1-ol is sourced from PubChem (CID 22837281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).