4,4,4-triethoxybutoxymethanol

C11H24O5 — CID 175773565

IUPAC4,4,4-triethoxybutoxymethanol
SMILESCCOC(CCCOCO)(OCC)OCC
InChIInChI=1S/C11H24O5/c1-4-14-11(15-5-2,16-6-3)8-7-9-13-10-12/h12H,4-10H2,1-3H3
InChIKeyIQTMCPKBYBFNDB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.50
Rot. Bonds11

About 4,4,4-triethoxybutoxymethanol

4,4,4-triethoxybutoxymethanol (PubChem CID 175773565) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4,4,4-triethoxybutoxymethanol.

Molecular Properties

Compound Name4,4,4-triethoxybutoxymethanol
PubChem CID175773565
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name4,4,4-triethoxybutoxymethanol
SMILESCCOC(CCCOCO)(OCC)OCC
InChIInChI=1S/C11H24O5/c1-4-14-11(15-5-2,16-6-3)8-7-9-13-10-12/h12H,4-10H2,1-3H3
InChIKeyIQTMCPKBYBFNDB-UHFFFAOYSA-N
XLogP1.50
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4,4-triethoxybutan-1-ol;zirconium
CID 151616246
ruthenium;1,1,1-triethoxydecane
CID 157324278
butoxymethanol;hafnium
CID 175007375
butoxymethanol;ethane
CID 145241108
butoxymethanol;titanium
CID 150795617
4-(13,13,13-triethoxytridecylamino)butan-1-ol
CID 151260398
2-butoxyethoxymethanol
CID 3019577
CID 156790678
CID 156790678
prop-2-enoic acid;4,4,4-triethoxybutan-1-ol
CID 159483376
ethyl 5,5,5-triethoxypentanoate
CID 14860744
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
CID 150976644

Frequently Asked Questions

What is the IUPAC name of 4,4,4-triethoxybutoxymethanol?
The IUPAC name of 4,4,4-triethoxybutoxymethanol (CID 175773565) is 4,4,4-triethoxybutoxymethanol.
What is the SMILES notation for 4,4,4-triethoxybutoxymethanol?
The canonical SMILES for 4,4,4-triethoxybutoxymethanol is CCOC(CCCOCO)(OCC)OCC.
What is the InChIKey of 4,4,4-triethoxybutoxymethanol?
The InChIKey is IQTMCPKBYBFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-4-14-11(15-5-2,16-6-3)8-7-9-13-10-12/h12H,4-10H2,1-3H3.
What are the key properties of 4,4,4-triethoxybutoxymethanol?
4,4,4-triethoxybutoxymethanol has a molecular weight of 236.31 g/mol, XLogP of 1.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-triethoxybutoxymethanol is sourced from PubChem (CID 175773565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).