2,3-diethoxybutane;ethane-1,2-diol

C10H24O4 — CID 158153184

IUPAC2,3-diethoxybutane;ethane-1,2-diol
SMILESCCOC(C)C(C)OCC.OCCO
InChIInChI=1S/C8H18O2.C2H6O2/c1-5-9-7(3)8(4)10-6-2;3-1-2-4/h7-8H,5-6H2,1-4H3;3-4H,1-2H2
InChIKeyFVJDPARTVRJZQP-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.81
Rot. Bonds6

About 2,3-diethoxybutane;ethane-1,2-diol

2,3-diethoxybutane;ethane-1,2-diol (PubChem CID 158153184) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3-diethoxybutane;ethane-1,2-diol.

Molecular Properties

Compound Name2,3-diethoxybutane;ethane-1,2-diol
PubChem CID158153184
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Name2,3-diethoxybutane;ethane-1,2-diol
SMILESCCOC(C)C(C)OCC.OCCO
InChIInChI=1S/C8H18O2.C2H6O2/c1-5-9-7(3)8(4)10-6-2;3-1-2-4/h7-8H,5-6H2,1-4H3;3-4H,1-2H2
InChIKeyFVJDPARTVRJZQP-UHFFFAOYSA-N
XLogP0.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-ethoxybutan-2-amine
CID 64712582
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
2-ethoxy-4-methylpentan-3-ol
CID 64541763
1,1,2,3-tetraethoxybutane
CID 121007003
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
3-amino-3-ethoxypropan-1-ol
CID 88521290
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
(2R,3R)-1,1,3-triethoxy-2-methylbutane
CID 129365387
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol
CID 134314881
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxybutane;ethane-1,2-diol?
The IUPAC name of 2,3-diethoxybutane;ethane-1,2-diol (CID 158153184) is 2,3-diethoxybutane;ethane-1,2-diol.
What is the SMILES notation for 2,3-diethoxybutane;ethane-1,2-diol?
The canonical SMILES for 2,3-diethoxybutane;ethane-1,2-diol is CCOC(C)C(C)OCC.OCCO.
What is the InChIKey of 2,3-diethoxybutane;ethane-1,2-diol?
The InChIKey is FVJDPARTVRJZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C2H6O2/c1-5-9-7(3)8(4)10-6-2;3-1-2-4/h7-8H,5-6H2,1-4H3;3-4H,1-2H2.
What are the key properties of 2,3-diethoxybutane;ethane-1,2-diol?
2,3-diethoxybutane;ethane-1,2-diol has a molecular weight of 208.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxybutane;ethane-1,2-diol is sourced from PubChem (CID 158153184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).