(1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol

C14H30O5 — CID 137348091

IUPAC(1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol
SMILESCCCCC[C@H](O)OC[C@H](CO)O[C@@H](O)CCCC
InChIInChI=1S/C14H30O5/c1-3-5-7-9-13(16)18-11-12(10-15)19-14(17)8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyGKBWBGWQSQJUDA-BFHYXJOUSA-N
MW278.39 g/mol
LogP1.79
Rot. Bonds13

About (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol

(1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol (PubChem CID 137348091) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol
PubChem CID137348091
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Name(1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol
SMILESCCCCC[C@H](O)OC[C@H](CO)O[C@@H](O)CCCC
InChIInChI=1S/C14H30O5/c1-3-5-7-9-13(16)18-11-12(10-15)19-14(17)8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyGKBWBGWQSQJUDA-BFHYXJOUSA-N
XLogP1.79
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol?
The IUPAC name of (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol (CID 137348091) is (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol.
What is the SMILES notation for (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol?
The canonical SMILES for (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol is CCCCC[C@H](O)OC[C@H](CO)O[C@@H](O)CCCC.
What is the InChIKey of (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol?
The InChIKey is GKBWBGWQSQJUDA-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H30O5/c1-3-5-7-9-13(16)18-11-12(10-15)19-14(17)8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13+,14+/m0/s1.
What are the key properties of (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol?
(1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 1.79, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-3-hydroxy-2-[(1R)-1-hydroxypentoxy]propoxy]hexan-1-ol is sourced from PubChem (CID 137348091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).