1,1,2,3-tetraethoxybutane

C12H26O4 — CID 121007003

IUPAC1,1,2,3-tetraethoxybutane
SMILESCCOC(C)C(OCC)C(OCC)OCC
InChIInChI=1S/C12H26O4/c1-6-13-10(5)11(14-7-2)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3
InChIKeyYHEFLJJJTUGJEU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.22
Rot. Bonds10

About 1,1,2,3-tetraethoxybutane

1,1,2,3-tetraethoxybutane (PubChem CID 121007003) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,1,2,3-tetraethoxybutane.

Molecular Properties

Compound Name1,1,2,3-tetraethoxybutane
PubChem CID121007003
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1,1,2,3-tetraethoxybutane
SMILESCCOC(C)C(OCC)C(OCC)OCC
InChIInChI=1S/C12H26O4/c1-6-13-10(5)11(14-7-2)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3
InChIKeyYHEFLJJJTUGJEU-UHFFFAOYSA-N
XLogP2.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-1,1,3-triethoxy-2-methylbutane
CID 129365387
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
3-(diethoxymethyl)-2-ethoxypentane
CID 121012465
(2S)-3-ethoxybutan-2-amine
CID 64712582
1,1-diethoxypropane-2-thiol
CID 23462764
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
3-ethoxy-4-methylpentane-1,2-diol
CID 23384895
1,1-diethoxyethane
CID 7765
2-ethoxy-4-methylpentan-3-ol
CID 64541763
1,1-diethoxy-6-methylheptan-2-amine
CID 83160850
3-ethoxy-2-methylbutanenitrile
CID 14922695
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetraethoxybutane?
The IUPAC name of 1,1,2,3-tetraethoxybutane (CID 121007003) is 1,1,2,3-tetraethoxybutane.
What is the SMILES notation for 1,1,2,3-tetraethoxybutane?
The canonical SMILES for 1,1,2,3-tetraethoxybutane is CCOC(C)C(OCC)C(OCC)OCC.
What is the InChIKey of 1,1,2,3-tetraethoxybutane?
The InChIKey is YHEFLJJJTUGJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-6-13-10(5)11(14-7-2)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3.
What are the key properties of 1,1,2,3-tetraethoxybutane?
1,1,2,3-tetraethoxybutane has a molecular weight of 234.34 g/mol, XLogP of 2.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetraethoxybutane is sourced from PubChem (CID 121007003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).