2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal

C18H38O5 — CID 86639480

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal
SMILESCCCCCCCCCC(C)C=O.OCCOCCOCCO
InChIInChI=1S/C12H24O.C6H14O4/c1-3-4-5-6-7-8-9-10-12(2)11-13;7-1-3-9-5-6-10-4-2-8/h11-12H,3-10H2,1-2H3;7-8H,1-6H2
InChIKeyNQVAXDNFQHHDCB-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.97
Rot. Bonds16

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal (PubChem CID 86639480) has the molecular formula C18H38O5 and a molecular weight of 334.50 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal
PubChem CID86639480
Molecular FormulaC18H38O5
Molecular Weight334.50 g/mol
Exact Mass334.27
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal
SMILESCCCCCCCCCC(C)C=O.OCCOCCOCCO
InChIInChI=1S/C12H24O.C6H14O4/c1-3-4-5-6-7-8-9-10-12(2)11-13;7-1-3-9-5-6-10-4-2-8/h11-12H,3-10H2,1-2H3;7-8H,1-6H2
InChIKeyNQVAXDNFQHHDCB-UHFFFAOYSA-N
XLogP2.97
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal (CID 86639480) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal is CCCCCCCCCC(C)C=O.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal?
The InChIKey is NQVAXDNFQHHDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C6H14O4/c1-3-4-5-6-7-8-9-10-12(2)11-13;7-1-3-9-5-6-10-4-2-8/h11-12H,3-10H2,1-2H3;7-8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal has a molecular weight of 334.50 g/mol, XLogP of 2.97, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal is sourced from PubChem (CID 86639480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).