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

C20H42O3 — CID 10936445

IUPAC(2S)-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-/m0/s1
InChIKeyXAWCMDFDFNRKGK-FQEVSTJZSA-N
MW330.55 g/mol
LogP5.49
Rot. Bonds19

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

(2S)-3-hexadecoxy-2-methoxypropan-1-ol (PubChem CID 10936445) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is (2S)-3-hexadecoxy-2-methoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-3-hexadecoxy-2-methoxypropan-1-ol
PubChem CID10936445
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Name(2S)-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-/m0/s1
InChIKeyXAWCMDFDFNRKGK-FQEVSTJZSA-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'}

Analyze (2S)-3-hexadecoxy-2-methoxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hexadecoxy-2-methoxypropan-1-ol?
The IUPAC name of (2S)-3-hexadecoxy-2-methoxypropan-1-ol (CID 10936445) is (2S)-3-hexadecoxy-2-methoxypropan-1-ol.
What is the SMILES notation for (2S)-3-hexadecoxy-2-methoxypropan-1-ol?
The canonical SMILES for (2S)-3-hexadecoxy-2-methoxypropan-1-ol is CCCCCCCCCCCCCCCCOC[C@H](CO)OC.
What is the InChIKey of (2S)-3-hexadecoxy-2-methoxypropan-1-ol?
The InChIKey is XAWCMDFDFNRKGK-FQEVSTJZSA-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-/m0/s1.
What are the key properties of (2S)-3-hexadecoxy-2-methoxypropan-1-ol?
(2S)-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 (2S)-3-hexadecoxy-2-methoxypropan-1-ol is sourced from PubChem (CID 10936445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).