2-(1,2-dibutoxyethoxy)ethanol

C12H26O4 — CID 57055160

IUPAC2-(1,2-dibutoxyethoxy)ethanol
SMILESCCCCOCC(OCCO)OCCCC
InChIInChI=1S/C12H26O4/c1-3-5-8-14-11-12(16-10-7-13)15-9-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyFANHEEQYCUNCJP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds12

About 2-(1,2-dibutoxyethoxy)ethanol

2-(1,2-dibutoxyethoxy)ethanol (PubChem CID 57055160) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(1,2-dibutoxyethoxy)ethanol.

Molecular Properties

Compound Name2-(1,2-dibutoxyethoxy)ethanol
PubChem CID57055160
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-(1,2-dibutoxyethoxy)ethanol
SMILESCCCCOCC(OCCO)OCCCC
InChIInChI=1S/C12H26O4/c1-3-5-8-14-11-12(16-10-7-13)15-9-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyFANHEEQYCUNCJP-UHFFFAOYSA-N
XLogP1.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
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

2-(1,3-dioctoxypropan-2-yloxy)ethanol
CID 132520295
2-(1,2-dibutoxyethoxy)ethyl formate
CID 57319136
2-[2-[1,2-bis(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 174784846
2-[2-(2-amino-2-butoxyethoxy)ethoxy]ethanol
CID 87459589
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
bis[2-(1,2-dibutoxyethoxy)ethyl] decanedioate
CID 57217693
3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol
CID 57074881
2-butoxyethanol
CID 8133
[1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] prop-2-enoate
CID 22178992
bis(1,2-dibutoxyethyl) decanedioate
CID 174729483
1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549
4-(1,2-dipropoxyethoxy)butoxysilane
CID 123260275

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dibutoxyethoxy)ethanol?
The IUPAC name of 2-(1,2-dibutoxyethoxy)ethanol (CID 57055160) is 2-(1,2-dibutoxyethoxy)ethanol.
What is the SMILES notation for 2-(1,2-dibutoxyethoxy)ethanol?
The canonical SMILES for 2-(1,2-dibutoxyethoxy)ethanol is CCCCOCC(OCCO)OCCCC.
What is the InChIKey of 2-(1,2-dibutoxyethoxy)ethanol?
The InChIKey is FANHEEQYCUNCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-3-5-8-14-11-12(16-10-7-13)15-9-6-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(1,2-dibutoxyethoxy)ethanol?
2-(1,2-dibutoxyethoxy)ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.95, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dibutoxyethoxy)ethanol is sourced from PubChem (CID 57055160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).