4-ethoxy-1-methoxy-4-methylpentan-2-ol

C9H20O3 — CID 123443341

IUPAC4-ethoxy-1-methoxy-4-methylpentan-2-ol
SMILESCCOC(C)(C)CC(O)COC
InChIInChI=1S/C9H20O3/c1-5-12-9(2,3)6-8(10)7-11-4/h8,10H,5-7H2,1-4H3
InChIKeyHNGNGAZRMXQOEY-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.20
Rot. Bonds6

About 4-ethoxy-1-methoxy-4-methylpentan-2-ol

4-ethoxy-1-methoxy-4-methylpentan-2-ol (PubChem CID 123443341) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-ethoxy-1-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-ethoxy-1-methoxy-4-methylpentan-2-ol
PubChem CID123443341
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name4-ethoxy-1-methoxy-4-methylpentan-2-ol
SMILESCCOC(C)(C)CC(O)COC
InChIInChI=1S/C9H20O3/c1-5-12-9(2,3)6-8(10)7-11-4/h8,10H,5-7H2,1-4H3
InChIKeyHNGNGAZRMXQOEY-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxy-2-methylpropyl)amino]-3-methoxypropan-2-ol
CID 114942086
2-methoxybutane;1-methoxybutan-2-ol;methoxyethane
CID 158419492
4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol
CID 167091008
methane;1-methoxybutan-2-ol
CID 161499525
1,5-dimethoxypentane-2,4-diol
CID 88937884
1-fluoro-3-methoxypropan-2-ol
CID 53422469
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane
CID 123832462
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
1-methoxy-5-methyloctan-2-ol
CID 62320776
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methoxy-4-methylpentan-2-ol?
The IUPAC name of 4-ethoxy-1-methoxy-4-methylpentan-2-ol (CID 123443341) is 4-ethoxy-1-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 4-ethoxy-1-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 4-ethoxy-1-methoxy-4-methylpentan-2-ol is CCOC(C)(C)CC(O)COC.
What is the InChIKey of 4-ethoxy-1-methoxy-4-methylpentan-2-ol?
The InChIKey is HNGNGAZRMXQOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-5-12-9(2,3)6-8(10)7-11-4/h8,10H,5-7H2,1-4H3.
What are the key properties of 4-ethoxy-1-methoxy-4-methylpentan-2-ol?
4-ethoxy-1-methoxy-4-methylpentan-2-ol has a molecular weight of 176.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 123443341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).