(2R)-3-hexadecoxy-2-methoxypropan-1-ol

C20H42O3 — CID 10065250

IUPAC(2R)-3-hexadecoxy-2-methoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCOC[C@@H](CO)OC
InChIInChI=1S/C20H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20-21H,3-19H2,1-2H3/t20-/m1/s1
InChIKeyXAWCMDFDFNRKGK-HXUWFJFHSA-N
MW330.55 g/mol
LogP5.49
Rot. Bonds19

About (2R)-3-hexadecoxy-2-methoxypropan-1-ol

(2R)-3-hexadecoxy-2-methoxypropan-1-ol (PubChem CID 10065250) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is (2R)-3-hexadecoxy-2-methoxypropan-1-ol.

Molecular Properties

Compound Name(2R)-3-hexadecoxy-2-methoxypropan-1-ol
PubChem CID10065250
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Name(2R)-3-hexadecoxy-2-methoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCOC[C@@H](CO)OC
InChIInChI=1S/C20H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20-21H,3-19H2,1-2H3/t20-/m1/s1
InChIKeyXAWCMDFDFNRKGK-HXUWFJFHSA-N
XLogP5.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.55
LogP ≤ 55.49
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

methanesulfonic acid;(2R)-2-methoxy-3-octadecoxypropan-1-ol
CID 71407762
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
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
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
(2S)-2-hydroperoxy-3-pentoxypropan-1-ol
CID 87237647
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
(1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate
CID 54143441
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hexadecoxy-2-methoxypropan-1-ol?
The IUPAC name of (2R)-3-hexadecoxy-2-methoxypropan-1-ol (CID 10065250) is (2R)-3-hexadecoxy-2-methoxypropan-1-ol.
What is the SMILES notation for (2R)-3-hexadecoxy-2-methoxypropan-1-ol?
The canonical SMILES for (2R)-3-hexadecoxy-2-methoxypropan-1-ol is CCCCCCCCCCCCCCCCOC[C@@H](CO)OC.
What is the InChIKey of (2R)-3-hexadecoxy-2-methoxypropan-1-ol?
The InChIKey is XAWCMDFDFNRKGK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20-21H,3-19H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-3-hexadecoxy-2-methoxypropan-1-ol?
(2R)-3-hexadecoxy-2-methoxypropan-1-ol has a molecular weight of 330.55 g/mol, XLogP of 5.49, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hexadecoxy-2-methoxypropan-1-ol is sourced from PubChem (CID 10065250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).