2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol

C11H24O3 — CID 170039008

IUPAC2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol
SMILESCCOC(C)(C)C(C)(C)OC(C)(C)O
InChIInChI=1S/C11H24O3/c1-8-13-9(2,3)10(4,5)14-11(6,7)12/h12H,8H2,1-7H3
InChIKeyNQXDWZBSHQPSEE-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.33
Rot. Bonds5

About 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol

2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol (PubChem CID 170039008) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol
PubChem CID170039008
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol
SMILESCCOC(C)(C)C(C)(C)OC(C)(C)O
InChIInChI=1S/C11H24O3/c1-8-13-9(2,3)10(4,5)14-11(6,7)12/h12H,8H2,1-7H3
InChIKeyNQXDWZBSHQPSEE-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

titanium;1,1,2-triethoxy-2-methylpropan-1-ol
CID 87321187
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
2,2,5,5-tetraethoxyhexane
CID 42611383
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
1-amino-2-ethoxypropan-2-ol
CID 174792064
1-ethoxypentane-1,1,4,4-tetrol
CID 91379347
2-ethoxy-1-methoxypropan-2-ol
CID 148549797
1,1-dichloro-2-ethoxypropan-2-ol
CID 141478859
2,2-diethoxy-1-methoxypropane
CID 168868590

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol?
The IUPAC name of 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol (CID 170039008) is 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol.
What is the SMILES notation for 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol?
The canonical SMILES for 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol is CCOC(C)(C)C(C)(C)OC(C)(C)O.
What is the InChIKey of 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol?
The InChIKey is NQXDWZBSHQPSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-8-13-9(2,3)10(4,5)14-11(6,7)12/h12H,8H2,1-7H3.
What are the key properties of 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol?
2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol is sourced from PubChem (CID 170039008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).