1-(2,2-diethylbutoxy)propan-2-ol

C11H24O2 — CID 20647643

IUPAC1-(2,2-diethylbutoxy)propan-2-ol
SMILESCCC(CC)(CC)COCC(C)O
InChIInChI=1S/C11H24O2/c1-5-11(6-2,7-3)9-13-8-10(4)12/h10,12H,5-9H2,1-4H3
InChIKeyKXNSFOOPIFUODZ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds7

About 1-(2,2-diethylbutoxy)propan-2-ol

1-(2,2-diethylbutoxy)propan-2-ol (PubChem CID 20647643) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2,2-diethylbutoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,2-diethylbutoxy)propan-2-ol
PubChem CID20647643
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(2,2-diethylbutoxy)propan-2-ol
SMILESCCC(CC)(CC)COCC(C)O
InChIInChI=1S/C11H24O2/c1-5-11(6-2,7-3)9-13-8-10(4)12/h10,12H,5-9H2,1-4H3
InChIKeyKXNSFOOPIFUODZ-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanol, 2-(2-ethylbutoxy)-
CID 20548
2-Methoxy-4,4-dimethylpentan-1-ol
CID 59351982
2-Methoxy-3,3-dimethylbutan-1-ol
CID 88364208
1-(1,3-Dimethylbutoxy)-2-propanol
CID 41053
1-(2-Methoxyethoxy)-3,3-dimethylbutan-2-ol
CID 53621932
Propylene glycol methyl-n-butyl ether
CID 21958013
Diethyl diethylene glycol
CID 22507180
Triethyl-2,3-propanediol
CID 129691760
2-Ethylbutyl glyceryl ether
CID 3057205
2-Butanol, 3-(1,3,3-trimethylbutoxy)-
CID 546003
2-[2-(2-Ethylbutoxy)ethoxy]ethan-1-ol
CID 4606488
2-(1-Ethyl-1-methylpropoxy)ethanol
CID 13449961

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethylbutoxy)propan-2-ol?
The IUPAC name of 1-(2,2-diethylbutoxy)propan-2-ol (CID 20647643) is 1-(2,2-diethylbutoxy)propan-2-ol.
What is the SMILES notation for 1-(2,2-diethylbutoxy)propan-2-ol?
The canonical SMILES for 1-(2,2-diethylbutoxy)propan-2-ol is CCC(CC)(CC)COCC(C)O.
What is the InChIKey of 1-(2,2-diethylbutoxy)propan-2-ol?
The InChIKey is KXNSFOOPIFUODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-11(6-2,7-3)9-13-8-10(4)12/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-diethylbutoxy)propan-2-ol?
1-(2,2-diethylbutoxy)propan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethylbutoxy)propan-2-ol is sourced from PubChem (CID 20647643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).