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

C27H56O3 — CID 87800892

IUPAC(2R)-3-hexadecoxy-2-octoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCOC[C@@H](CO)OCCCCCCCC
InChIInChI=1S/C27H56O3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-29-26-27(25-28)30-24-22-20-10-8-6-4-2/h27-28H,3-26H2,1-2H3/t27-/m1/s1
InChIKeyFERAUVJRNCOPFN-HHHXNRCGSA-N
MW428.74 g/mol
LogP8.22
Rot. Bonds26

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

(2R)-3-hexadecoxy-2-octoxypropan-1-ol (PubChem CID 87800892) has the molecular formula C27H56O3 and a molecular weight of 428.74 g/mol. Its IUPAC name is (2R)-3-hexadecoxy-2-octoxypropan-1-ol.

Molecular Properties

Compound Name(2R)-3-hexadecoxy-2-octoxypropan-1-ol
PubChem CID87800892
Molecular FormulaC27H56O3
Molecular Weight428.74 g/mol
Exact Mass428.42
IUPAC Name(2R)-3-hexadecoxy-2-octoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCOC[C@@H](CO)OCCCCCCCC
InChIInChI=1S/C27H56O3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-29-26-27(25-28)30-24-22-20-10-8-6-4-2/h27-28H,3-26H2,1-2H3/t27-/m1/s1
InChIKeyFERAUVJRNCOPFN-HHHXNRCGSA-N
XLogP8.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-3-hexadecoxy-2-octoxypropan-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

Related Compounds

3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
3-(3-hydroxy-2-octadecoxypropoxy)-2-octadecoxypropan-1-ol
CID 25022460
N,N-diethylethanamine;2,3-dihexadecoxypropan-1-ol
CID 172690402
2-(8-(18F)fluorooctoxy)-3-hexadecoxypropan-1-ol
CID 10671023
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
methanesulfonic acid;3-octadecoxy-2-pentoxypropan-1-ol
CID 71325331
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
2-hexadecoxypropane-1,3-diol
CID 12924931

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hexadecoxy-2-octoxypropan-1-ol?
The IUPAC name of (2R)-3-hexadecoxy-2-octoxypropan-1-ol (CID 87800892) is (2R)-3-hexadecoxy-2-octoxypropan-1-ol.
What is the SMILES notation for (2R)-3-hexadecoxy-2-octoxypropan-1-ol?
The canonical SMILES for (2R)-3-hexadecoxy-2-octoxypropan-1-ol is CCCCCCCCCCCCCCCCOC[C@@H](CO)OCCCCCCCC.
What is the InChIKey of (2R)-3-hexadecoxy-2-octoxypropan-1-ol?
The InChIKey is FERAUVJRNCOPFN-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H56O3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-29-26-27(25-28)30-24-22-20-10-8-6-4-2/h27-28H,3-26H2,1-2H3/t27-/m1/s1.
What are the key properties of (2R)-3-hexadecoxy-2-octoxypropan-1-ol?
(2R)-3-hexadecoxy-2-octoxypropan-1-ol has a molecular weight of 428.74 g/mol, XLogP of 8.22, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hexadecoxy-2-octoxypropan-1-ol is sourced from PubChem (CID 87800892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).