(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol

C19H40O5 — CID 40535127

IUPAC(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
SMILESCCCCCCOCCOCCOC[C@H](O)COCCCCCC
InChIInChI=1S/C19H40O5/c1-3-5-7-9-11-21-13-14-22-15-16-24-18-19(20)17-23-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-/m1/s1
InChIKeyMQBWPLMYAFWJNW-LJQANCHMSA-N
MW348.52 g/mol
LogP3.57
Rot. Bonds20

About (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol

(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol (PubChem CID 40535127) has the molecular formula C19H40O5 and a molecular weight of 348.52 g/mol. Its IUPAC name is (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
PubChem CID40535127
Molecular FormulaC19H40O5
Molecular Weight348.52 g/mol
Exact Mass348.29
IUPAC Name(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
SMILESCCCCCCOCCOCCOC[C@H](O)COCCCCCC
InChIInChI=1S/C19H40O5/c1-3-5-7-9-11-21-13-14-22-15-16-24-18-19(20)17-23-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-/m1/s1
InChIKeyMQBWPLMYAFWJNW-LJQANCHMSA-N
XLogP3.57
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
[3-(2-hexadecoxyethoxy)-2-hydroxypropyl]-trimethylazanium
CID 100925499
[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium
CID 15825767
1,4-dioctoxybutan-2-ol
CID 91047029
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
1-(1,3-dioctoxypropan-2-yloxy)-3-octoxypropan-2-ol
CID 87462950
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
1-octadecoxyicosan-2-ol
CID 88758338
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876

Frequently Asked Questions

What is the IUPAC name of (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol?
The IUPAC name of (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol (CID 40535127) is (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol?
The canonical SMILES for (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol is CCCCCCOCCOCCOC[C@H](O)COCCCCCC.
What is the InChIKey of (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol?
The InChIKey is MQBWPLMYAFWJNW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H40O5/c1-3-5-7-9-11-21-13-14-22-15-16-24-18-19(20)17-23-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol?
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol has a molecular weight of 348.52 g/mol, XLogP of 3.57, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 40535127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).