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

C23H48O9 — CID 92518845

IUPAC(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
SMILESCCCCOCCOCCOCCOCCOC[C@H](O)COCCOCCOCCCC
InChIInChI=1S/C23H48O9/c1-3-5-7-25-9-11-27-13-14-28-15-16-30-18-20-32-22-23(24)21-31-19-17-29-12-10-26-8-6-4-2/h23-24H,3-22H2,1-2H3/t23-/m1/s1
InChIKeyPGPFNPWFSQKQDU-HSZRJFAPSA-N
MW468.63 g/mol
LogP2.08
Rot. Bonds28

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

(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol (PubChem CID 92518845) has the molecular formula C23H48O9 and a molecular weight of 468.63 g/mol. Its IUPAC name is (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
PubChem CID92518845
Molecular FormulaC23H48O9
Molecular Weight468.63 g/mol
Exact Mass468.33
IUPAC Name(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
SMILESCCCCOCCOCCOCCOCCOC[C@H](O)COCCOCCOCCCC
InChIInChI=1S/C23H48O9/c1-3-5-7-25-9-11-27-13-14-28-15-16-30-18-20-32-22-23(24)21-31-19-17-29-12-10-26-8-6-4-2/h23-24H,3-22H2,1-2H3/t23-/m1/s1
InChIKeyPGPFNPWFSQKQDU-HSZRJFAPSA-N
XLogP2.08
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
CID 40610659
(2R)-1-butoxybutan-2-ol
CID 27255938
4-(2-butoxyethoxy)butane-1,3-diol
CID 174811578
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol
CID 59187881
[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium
CID 15825767

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol?
The IUPAC name of (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol (CID 92518845) is (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol is CCCCOCCOCCOCCOCCOC[C@H](O)COCCOCCOCCCC.
What is the InChIKey of (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol?
The InChIKey is PGPFNPWFSQKQDU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H48O9/c1-3-5-7-25-9-11-27-13-14-28-15-16-30-18-20-32-22-23(24)21-31-19-17-29-12-10-26-8-6-4-2/h23-24H,3-22H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol?
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol has a molecular weight of 468.63 g/mol, XLogP of 2.08, 28 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 92518845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).