3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol

C20H28O6 — CID 174187887

IUPAC3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol
SMILESOC#CCc1ccccc1OCCOCCOCCO[C@H]1CCCCO1
InChIInChI=1S/C20H28O6/c21-10-5-7-18-6-1-2-8-19(18)24-16-14-22-12-13-23-15-17-26-20-9-3-4-11-25-20/h1-2,6,8,20-21H,3-4,7,9,11-17H2/t20-/m0/s1
InChIKeyUQQPKRYWXFTQSX-FQEVSTJZSA-N
MW364.44 g/mol
LogP2.52
Rot. Bonds12

About 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol

3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol (PubChem CID 174187887) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol
PubChem CID174187887
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol
SMILESOC#CCc1ccccc1OCCOCCOCCO[C@H]1CCCCO1
InChIInChI=1S/C20H28O6/c21-10-5-7-18-6-1-2-8-19(18)24-16-14-22-12-13-23-15-17-26-20-9-3-4-11-25-20/h1-2,6,8,20-21H,3-4,7,9,11-17H2/t20-/m0/s1
InChIKeyUQQPKRYWXFTQSX-FQEVSTJZSA-N
XLogP2.52
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
2-(2-phenoxyethoxy)oxane
CID 11736193
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
methyl 3-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]prop-2-enoate
CID 72616107
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol?
The IUPAC name of 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol (CID 174187887) is 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol.
What is the SMILES notation for 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol?
The canonical SMILES for 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol is OC#CCc1ccccc1OCCOCCOCCO[C@H]1CCCCO1.
What is the InChIKey of 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol?
The InChIKey is UQQPKRYWXFTQSX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28O6/c21-10-5-7-18-6-1-2-8-19(18)24-16-14-22-12-13-23-15-17-26-20-9-3-4-11-25-20/h1-2,6,8,20-21H,3-4,7,9,11-17H2/t20-/m0/s1.
What are the key properties of 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol?
3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol has a molecular weight of 364.44 g/mol, XLogP of 2.52, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol is sourced from PubChem (CID 174187887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).