2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol

C12H26O4 — CID 121420084

IUPAC2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol
SMILESCCOC(COCC(CO)C(C)C)OCC
InChIInChI=1S/C12H26O4/c1-5-15-12(16-6-2)9-14-8-11(7-13)10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyVDTRRLVAMWDMFJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.67
Rot. Bonds10

About 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol

2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol (PubChem CID 121420084) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol
PubChem CID121420084
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol
SMILESCCOC(COCC(CO)C(C)C)OCC
InChIInChI=1S/C12H26O4/c1-5-15-12(16-6-2)9-14-8-11(7-13)10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyVDTRRLVAMWDMFJ-UHFFFAOYSA-N
XLogP1.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.67
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

3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol
CID 106706485
3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol
CID 57074881
1-(2,2-diethoxyethoxy)-3-methylbut-2-ene
CID 14358530
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912
2-(2,2-diethoxyethoxy)acetaldehyde
CID 15582210
2-[2-(2-aminoethoxy)-2-ethoxyethoxy]ethanamine
CID 175367490
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451
1-(2,2-diethoxyethoxy)-3-methoxypropane
CID 63629609
5,5-diethoxypent-2-yn-1-ol
CID 12720734
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
CID 57451317
CID 57451317
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol (CID 121420084) is 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol is CCOC(COCC(CO)C(C)C)OCC.
What is the InChIKey of 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol?
The InChIKey is VDTRRLVAMWDMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-5-15-12(16-6-2)9-14-8-11(7-13)10(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol?
2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol is sourced from PubChem (CID 121420084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).