2-(2-ethoxy-1-methoxyethoxy)butan-1-ol

C9H20O4 — CID 118017313

IUPAC2-(2-ethoxy-1-methoxyethoxy)butan-1-ol
SMILESCCOCC(OC)OC(CC)CO
InChIInChI=1S/C9H20O4/c1-4-8(6-10)13-9(11-3)7-12-5-2/h8-10H,4-7H2,1-3H3
InChIKeyZLOCMOJBALNVSR-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.78
Rot. Bonds8

About 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol

2-(2-ethoxy-1-methoxyethoxy)butan-1-ol (PubChem CID 118017313) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol.

Molecular Properties

Compound Name2-(2-ethoxy-1-methoxyethoxy)butan-1-ol
PubChem CID118017313
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(2-ethoxy-1-methoxyethoxy)butan-1-ol
SMILESCCOCC(OC)OC(CC)CO
InChIInChI=1S/C9H20O4/c1-4-8(6-10)13-9(11-3)7-12-5-2/h8-10H,4-7H2,1-3H3
InChIKeyZLOCMOJBALNVSR-UHFFFAOYSA-N
XLogP0.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[(2S)-2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid
CID 130455562
[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-(3-oxobutyl)carbamate
CID 90360417
ethane;2-methoxybutan-1-ol
CID 174440725
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
2-deuterio-7-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-2-methyloct-7-en-3-one
CID 118014263
4-[(2R)-2-(1-hydroxybutan-2-yloxy)-2-[3-hydroxy-2-[(1R)-2-hydroxy-1-methoxyethoxy]propoxy]ethoxy]-4-oxobutanoic acid
CID 59456681
[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 4-(2-methoxyprop-2-enylamino)-4-oxobutanoate
CID 58035456
(1-ethoxy-3-hydroxypropan-2-yl) phosphanylformate
CID 155630613
(2S)-2-ethoxybutan-1-ol
CID 89167253
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
(2R)-2-[(2S)-1-silyloxypropan-2-yl]oxybutan-1-ol
CID 123678229
[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 4-oxo-4-[2-(tritiophosphanylmethoxy)prop-2-enylamino]butanoate
CID 58176005

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol?
The IUPAC name of 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol (CID 118017313) is 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol.
What is the SMILES notation for 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol?
The canonical SMILES for 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol is CCOCC(OC)OC(CC)CO.
What is the InChIKey of 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol?
The InChIKey is ZLOCMOJBALNVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-4-8(6-10)13-9(11-3)7-12-5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol?
2-(2-ethoxy-1-methoxyethoxy)butan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-1-methoxyethoxy)butan-1-ol is sourced from PubChem (CID 118017313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).