2-ethyl-4-methoxybutan-1-ol

C7H16O2 — CID 66058779

IUPAC2-ethyl-4-methoxybutan-1-ol
SMILESCCC(CO)CCOC
InChIInChI=1S/C7H16O2/c1-3-7(6-8)4-5-9-2/h7-8H,3-6H2,1-2H3
InChIKeyVGMZKGQEDDMUDG-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.04
Rot. Bonds5

About 2-ethyl-4-methoxybutan-1-ol

2-ethyl-4-methoxybutan-1-ol (PubChem CID 66058779) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-ethyl-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-methoxybutan-1-ol
PubChem CID66058779
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-ethyl-4-methoxybutan-1-ol
SMILESCCC(CO)CCOC
InChIInChI=1S/C7H16O2/c1-3-7(6-8)4-5-9-2/h7-8H,3-6H2,1-2H3
InChIKeyVGMZKGQEDDMUDG-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-methoxypentan-1-ol
CID 66059836
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
2-(aminomethyl)-4-methoxybutan-1-ol
CID 63216338
4-methoxy-2-(sulfanylmethyl)butan-1-ol
CID 117236943
CID 59101409
CID 59101409
3-ethyl-5-methoxypentanal
CID 130284598
5-methoxy-2-propylpentan-1-ol
CID 66060260
(3R)-3-ethyl-1-methoxynonane
CID 118890071
2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185077
methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane
CID 157097791
2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine
CID 163227922
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxybutan-1-ol?
The IUPAC name of 2-ethyl-4-methoxybutan-1-ol (CID 66058779) is 2-ethyl-4-methoxybutan-1-ol.
What is the SMILES notation for 2-ethyl-4-methoxybutan-1-ol?
The canonical SMILES for 2-ethyl-4-methoxybutan-1-ol is CCC(CO)CCOC.
What is the InChIKey of 2-ethyl-4-methoxybutan-1-ol?
The InChIKey is VGMZKGQEDDMUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-7(6-8)4-5-9-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-4-methoxybutan-1-ol?
2-ethyl-4-methoxybutan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxybutan-1-ol is sourced from PubChem (CID 66058779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).