1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol

C14H30O4 — CID 57184429

IUPAC1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol
SMILESCCOCC(OC(OCC)C(O)C(C)C)C(C)C
InChIInChI=1S/C14H30O4/c1-7-16-9-12(10(3)4)18-14(17-8-2)13(15)11(5)6/h10-15H,7-9H2,1-6H3
InChIKeyDCUQCRXTNDVJPG-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.44
Rot. Bonds10

About 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol

1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol (PubChem CID 57184429) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol
PubChem CID57184429
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol
SMILESCCOCC(OC(OCC)C(O)C(C)C)C(C)C
InChIInChI=1S/C14H30O4/c1-7-16-9-12(10(3)4)18-14(17-8-2)13(15)11(5)6/h10-15H,7-9H2,1-6H3
InChIKeyDCUQCRXTNDVJPG-UHFFFAOYSA-N
XLogP2.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.44
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

2-ethoxy-4-methylpentan-3-ol
CID 64541763
(2R)-1,2-diethoxypropane
CID 92973991
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
CID 87485904
3-azido-1,1-diethoxybutan-2-ol
CID 14604202
1,1,3-triethoxy-N-methylpropan-2-amine
CID 79570224
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1,1-diethoxyethane
CID 7765
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane
CID 129150171

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol?
The IUPAC name of 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol (CID 57184429) is 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol?
The canonical SMILES for 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol is CCOCC(OC(OCC)C(O)C(C)C)C(C)C.
What is the InChIKey of 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol?
The InChIKey is DCUQCRXTNDVJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-7-16-9-12(10(3)4)18-14(17-8-2)13(15)11(5)6/h10-15H,7-9H2,1-6H3.
What are the key properties of 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol?
1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol has a molecular weight of 262.39 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol is sourced from PubChem (CID 57184429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).