2-ethyl-2,3-dimethylbutan-1-ol

C8H18O — CID 19810312

IUPAC2-ethyl-2,3-dimethylbutan-1-ol
SMILESCCC(C)(CO)C(C)C
InChIInChI=1S/C8H18O/c1-5-8(4,6-9)7(2)3/h7,9H,5-6H2,1-4H3
InChIKeyYPIJDMPDVZUWJO-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.05
Rot. Bonds3

About 2-ethyl-2,3-dimethylbutan-1-ol

2-ethyl-2,3-dimethylbutan-1-ol (PubChem CID 19810312) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-ethyl-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2,3-dimethylbutan-1-ol
PubChem CID19810312
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-ethyl-2,3-dimethylbutan-1-ol
SMILESCCC(C)(CO)C(C)C
InChIInChI=1S/C8H18O/c1-5-8(4,6-9)7(2)3/h7,9H,5-6H2,1-4H3
InChIKeyYPIJDMPDVZUWJO-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-2,3-dimethylbutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dimethylbutan-1-ol?
The IUPAC name of 2-ethyl-2,3-dimethylbutan-1-ol (CID 19810312) is 2-ethyl-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-ethyl-2,3-dimethylbutan-1-ol?
The canonical SMILES for 2-ethyl-2,3-dimethylbutan-1-ol is CCC(C)(CO)C(C)C.
What is the InChIKey of 2-ethyl-2,3-dimethylbutan-1-ol?
The InChIKey is YPIJDMPDVZUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-8(4,6-9)7(2)3/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2,3-dimethylbutan-1-ol?
2-ethyl-2,3-dimethylbutan-1-ol has a molecular weight of 130.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 19810312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).