(2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol

C20H42O4 — CID 11057128

IUPAC(2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol
SMILESCCCCCCCCCCCCCC[C@@H](COC[C@H](O)CO)OC
InChIInChI=1S/C20H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23-2)18-24-17-19(22)16-21/h19-22H,3-18H2,1-2H3/t19-,20+/m1/s1
InChIKeyLMVRXHKEYGPTCX-UXHICEINSA-N
MW346.55 g/mol
LogP4.46
Rot. Bonds19

About (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol

(2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol (PubChem CID 11057128) has the molecular formula C20H42O4 and a molecular weight of 346.55 g/mol. Its IUPAC name is (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol
PubChem CID11057128
Molecular FormulaC20H42O4
Molecular Weight346.55 g/mol
Exact Mass346.31
IUPAC Name(2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol
SMILESCCCCCCCCCCCCCC[C@@H](COC[C@H](O)CO)OC
InChIInChI=1S/C20H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23-2)18-24-17-19(22)16-21/h19-22H,3-18H2,1-2H3/t19-,20+/m1/s1
InChIKeyLMVRXHKEYGPTCX-UXHICEINSA-N
XLogP4.46
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroxypropoxy)propane-1,2-diol;hexadecane;icosan-9-ol
CID 174724990
(2S)-3-[(2R)-2-hydroxynonadecoxy]propane-1,2-diol
CID 137323866
(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol
CID 137323862
1-(2,3-dihydroxypropoxy)heptadecan-2-yl acetate
CID 71438623
3-hexadecan-6-yloxypropane-1,2-diol
CID 89303586
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-icosan-7-yloxypropane-1,2-diol
CID 22013131
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
(2S)-3-[(Z,2R)-2-methoxyheptadec-4-enoxy]propane-1,2-diol
CID 137323849
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]-dodecyl-dimethylazanium
CID 102514579
2,2-bis(hydroxymethyl)henicosane-1,3-diol;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 174795055

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol (CID 11057128) is (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol is CCCCCCCCCCCCCC[C@@H](COC[C@H](O)CO)OC.
What is the InChIKey of (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol?
The InChIKey is LMVRXHKEYGPTCX-UXHICEINSA-N. The full InChI is InChI=1S/C20H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23-2)18-24-17-19(22)16-21/h19-22H,3-18H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol?
(2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol has a molecular weight of 346.55 g/mol, XLogP of 4.46, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol is sourced from PubChem (CID 11057128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).