6-hydroxy-2,2,4,4-tetramethylhexan-3-one

C10H20O2 — CID 89190245

IUPAC6-hydroxy-2,2,4,4-tetramethylhexan-3-one
SMILESCC(C)(C)C(=O)C(C)(C)CCO
InChIInChI=1S/C10H20O2/c1-9(2,3)8(12)10(4,5)6-7-11/h11H,6-7H2,1-5H3
InChIKeyVBAYVORTLSRKPP-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.01
Rot. Bonds3

About 6-hydroxy-2,2,4,4-tetramethylhexan-3-one

6-hydroxy-2,2,4,4-tetramethylhexan-3-one (PubChem CID 89190245) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-hydroxy-2,2,4,4-tetramethylhexan-3-one.

Molecular Properties

Compound Name6-hydroxy-2,2,4,4-tetramethylhexan-3-one
PubChem CID89190245
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6-hydroxy-2,2,4,4-tetramethylhexan-3-one
SMILESCC(C)(C)C(=O)C(C)(C)CCO
InChIInChI=1S/C10H20O2/c1-9(2,3)8(12)10(4,5)6-7-11/h11H,6-7H2,1-5H3
InChIKeyVBAYVORTLSRKPP-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-2,2,4,4-tetramethylhexan-3-one 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 6-hydroxy-2,2,4,4-tetramethylhexan-3-one?
The IUPAC name of 6-hydroxy-2,2,4,4-tetramethylhexan-3-one (CID 89190245) is 6-hydroxy-2,2,4,4-tetramethylhexan-3-one.
What is the SMILES notation for 6-hydroxy-2,2,4,4-tetramethylhexan-3-one?
The canonical SMILES for 6-hydroxy-2,2,4,4-tetramethylhexan-3-one is CC(C)(C)C(=O)C(C)(C)CCO.
What is the InChIKey of 6-hydroxy-2,2,4,4-tetramethylhexan-3-one?
The InChIKey is VBAYVORTLSRKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2,3)8(12)10(4,5)6-7-11/h11H,6-7H2,1-5H3.
What are the key properties of 6-hydroxy-2,2,4,4-tetramethylhexan-3-one?
6-hydroxy-2,2,4,4-tetramethylhexan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2,4,4-tetramethylhexan-3-one is sourced from PubChem (CID 89190245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).