(2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal

C12H20O6 — CID 176837340

IUPAC(2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal
SMILESC#CCOCCOCCOCCO[C@H](C=O)CO
InChIInChI=1S/C12H20O6/c1-2-3-15-4-5-16-6-7-17-8-9-18-12(10-13)11-14/h1,10,12,14H,3-9,11H2/t12-/m1/s1
InChIKeyFYPGRLNBJCKXMT-GFCCVEGCSA-N
MW260.29 g/mol
LogP-0.75
Rot. Bonds13

About (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal

(2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal (PubChem CID 176837340) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal
PubChem CID176837340
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal
SMILESC#CCOCCOCCOCCO[C@H](C=O)CO
InChIInChI=1S/C12H20O6/c1-2-3-15-4-5-16-6-7-17-8-9-18-12(10-13)11-14/h1,10,12,14H,3-9,11H2/t12-/m1/s1
InChIKeyFYPGRLNBJCKXMT-GFCCVEGCSA-N
XLogP-0.75
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal?
The IUPAC name of (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal (CID 176837340) is (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal.
What is the SMILES notation for (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal?
The canonical SMILES for (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal is C#CCOCCOCCOCCO[C@H](C=O)CO.
What is the InChIKey of (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal?
The InChIKey is FYPGRLNBJCKXMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20O6/c1-2-3-15-4-5-16-6-7-17-8-9-18-12(10-13)11-14/h1,10,12,14H,3-9,11H2/t12-/m1/s1.
What are the key properties of (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal?
(2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal has a molecular weight of 260.29 g/mol, XLogP of -0.75, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal is sourced from PubChem (CID 176837340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).