benzene;1,2-diethoxybutane

C14H24O2 — CID 67553171

IUPACbenzene;1,2-diethoxybutane
SMILESCCOCC(CC)OCC.c1ccccc1
InChIInChI=1S/C8H18O2.C6H6/c1-4-8(10-6-3)7-9-5-2;1-2-4-6-5-3-1/h8H,4-7H2,1-3H3;1-6H
InChIKeyQJGFGQGAFOEKNK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.52
Rot. Bonds6

About benzene;1,2-diethoxybutane

benzene;1,2-diethoxybutane (PubChem CID 67553171) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is benzene;1,2-diethoxybutane.

Molecular Properties

Compound Namebenzene;1,2-diethoxybutane
PubChem CID67553171
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namebenzene;1,2-diethoxybutane
SMILESCCOCC(CC)OCC.c1ccccc1
InChIInChI=1S/C8H18O2.C6H6/c1-4-8(10-6-3)7-9-5-2;1-2-4-6-5-3-1/h8H,4-7H2,1-3H3;1-6H
InChIKeyQJGFGQGAFOEKNK-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,3-diethoxypropan-1-ol
CID 129362297
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
2,3-diethoxy-N-iodopropan-1-amine
CID 166782054
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
1-(2-ethoxybutoxy)hexan-2-yl hydrogen carbonate
CID 87842945
1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
CID 157107296
(2S)-2-ethoxy-1-fluorobutane
CID 153031370
2-(2-ethoxybutoxy)ethyl methyl carbonate
CID 87247647
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
2-ethoxy-3-phenylmethoxypropan-1-amine
CID 63069675
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431

Frequently Asked Questions

What is the IUPAC name of benzene;1,2-diethoxybutane?
The IUPAC name of benzene;1,2-diethoxybutane (CID 67553171) is benzene;1,2-diethoxybutane.
What is the SMILES notation for benzene;1,2-diethoxybutane?
The canonical SMILES for benzene;1,2-diethoxybutane is CCOCC(CC)OCC.c1ccccc1.
What is the InChIKey of benzene;1,2-diethoxybutane?
The InChIKey is QJGFGQGAFOEKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C6H6/c1-4-8(10-6-3)7-9-5-2;1-2-4-6-5-3-1/h8H,4-7H2,1-3H3;1-6H.
What are the key properties of benzene;1,2-diethoxybutane?
benzene;1,2-diethoxybutane has a molecular weight of 224.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-diethoxybutane is sourced from PubChem (CID 67553171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).