1,1,2-tributoxyethanol

C14H30O4 — CID 3022905

IUPAC1,1,2-tributoxyethanol
SMILESCCCCOCC(O)(OCCCC)OCCCC
InChIInChI=1S/C14H30O4/c1-4-7-10-16-13-14(15,17-11-8-5-2)18-12-9-6-3/h15H,4-13H2,1-3H3
InChIKeyWXFVCKAVUXMGLV-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.08
Rot. Bonds13

About 1,1,2-tributoxyethanol

1,1,2-tributoxyethanol (PubChem CID 3022905) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1,1,2-tributoxyethanol.

Molecular Properties

Compound Name1,1,2-tributoxyethanol
PubChem CID3022905
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name1,1,2-tributoxyethanol
SMILESCCCCOCC(O)(OCCCC)OCCCC
InChIInChI=1S/C14H30O4/c1-4-7-10-16-13-14(15,17-11-8-5-2)18-12-9-6-3/h15H,4-13H2,1-3H3
InChIKeyWXFVCKAVUXMGLV-UHFFFAOYSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[1-butoxy-2-(2-ethoxyethoxy)-1-hydroxyethyl] acetate
CID 140525036
(1,1,2-Tributoxyethyl)silane
CID 76522121
3-[2-(butoxymethyl)-2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol
CID 129234449
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
2-(2-butoxyethoxy)-1,1,2,2-tetrafluoroethanol
CID 18995460
3-butoxy-1,1-difluoropropan-1-ol
CID 164768112
1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
CID 150976644
2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol
CID 159037727
butan-1-ol;1-butoxybutane
CID 19700093

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tributoxyethanol?
The IUPAC name of 1,1,2-tributoxyethanol (CID 3022905) is 1,1,2-tributoxyethanol.
What is the SMILES notation for 1,1,2-tributoxyethanol?
The canonical SMILES for 1,1,2-tributoxyethanol is CCCCOCC(O)(OCCCC)OCCCC.
What is the InChIKey of 1,1,2-tributoxyethanol?
The InChIKey is WXFVCKAVUXMGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-4-7-10-16-13-14(15,17-11-8-5-2)18-12-9-6-3/h15H,4-13H2,1-3H3.
What are the key properties of 1,1,2-tributoxyethanol?
1,1,2-tributoxyethanol has a molecular weight of 262.39 g/mol, XLogP of 3.08, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tributoxyethanol is sourced from PubChem (CID 3022905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).