3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol

C11H24O2 — CID 20578015

IUPAC3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol
SMILESCCC(O)(CC)CCOC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-11(12,7-2)8-9-13-10(3,4)5/h12H,6-9H2,1-5H3
InChIKeySPZCQNHHTPUIML-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.74
Rot. Bonds5

About 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol

3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol (PubChem CID 20578015) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol.

Molecular Properties

Compound Name3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol
PubChem CID20578015
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol
SMILESCCC(O)(CC)CCOC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-11(12,7-2)8-9-13-10(3,4)5/h12H,6-9H2,1-5H3
InChIKeySPZCQNHHTPUIML-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyloxan-4-ol
CID 12347118
4-(Tert-butoxy)-2-methylbutan-2-ol
CID 15105946
4-Ethyltetrahydro-2H-pyran-4-OL
CID 21897316
4-Isopropyltetrahydro-2H-pyran-4-OL
CID 57762515
4-Butoxy-2-methyl-2-butanol
CID 12422922
4-(3-Hydroxy-3-methylbutoxy)-2-methylbutan-2-ol
CID 57198401
4-Methyl-4-propoxypentan-2-ol
CID 22904867
1-[2,2-Difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol
CID 118549273
1-(2,2-Difluoro-3-hydroxypropoxy)-3-methylpentan-3-ol
CID 134566440
5-Methoxy-3,5-dimethylhexan-3-ol
CID 5209803
3-Ethylpentane-1,3-diol
CID 12709667
3-Methyl-3-(3-hydroxy-3-methylbutoxy)butanol
CID 20504091

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol?
The IUPAC name of 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol (CID 20578015) is 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol.
What is the SMILES notation for 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol?
The canonical SMILES for 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol is CCC(O)(CC)CCOC(C)(C)C.
What is the InChIKey of 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol?
The InChIKey is SPZCQNHHTPUIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-11(12,7-2)8-9-13-10(3,4)5/h12H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol?
3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol has a molecular weight of 188.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol is sourced from PubChem (CID 20578015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).