(4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one

C15H30O2 — CID 153306790

IUPAC(4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one
SMILESCC(C)(C)CCC(C)(C)[C@@H](O)C(=O)C(C)(C)C
InChIInChI=1S/C15H30O2/c1-13(2,3)9-10-15(7,8)12(17)11(16)14(4,5)6/h12,17H,9-10H2,1-8H3/t12-/m0/s1
InChIKeyMUIQNVSXWSJBMU-LBPRGKRZSA-N
MW242.40 g/mol
LogP3.82
Rot. Bonds4

About (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one

(4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one (PubChem CID 153306790) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one
PubChem CID153306790
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one
SMILESCC(C)(C)CCC(C)(C)[C@@H](O)C(=O)C(C)(C)C
InChIInChI=1S/C15H30O2/c1-13(2,3)9-10-15(7,8)12(17)11(16)14(4,5)6/h12,17H,9-10H2,1-8H3/t12-/m0/s1
InChIKeyMUIQNVSXWSJBMU-LBPRGKRZSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-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

Related Compounds

(4S)-4-amino-2,2,7,7-tetramethyloctan-3-one
CID 167383271
(4R,5R)-4-hydroxy-5-(hydroxymethyl)-2,2,8,8-tetramethylnonan-3-one
CID 153306668
(4R,5S)-4-hydroxy-5-(hydroxymethyl)-2,2,8,8-tetramethylnonan-3-one
CID 153298942
(4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one
CID 153298834
(4S,5R)-4-hydroxy-2,2,5,7,7-pentamethyloctan-3-one
CID 153298932
(4R,5S)-4-hydroxy-2,2,5,7,7-pentamethyloctan-3-one
CID 153298947
(4S)-4-hydroxy-2,2-dimethylhexan-3-one
CID 170275468
(2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane
CID 160834732
4-hydroxy-2,2-dimethylheptan-3-one
CID 103453766
4-tert-butyl-2,2,6,6-tetramethylheptan-3-one
CID 157168171
4-ethyl-2,2-dimethylhexan-3-one
CID 15584308
(4R,5R)-5-hydroxy-2,2,4-trimethylheptan-3-one
CID 131857696

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one?
The IUPAC name of (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one (CID 153306790) is (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one.
What is the SMILES notation for (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one?
The canonical SMILES for (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one is CC(C)(C)CCC(C)(C)[C@@H](O)C(=O)C(C)(C)C.
What is the InChIKey of (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one?
The InChIKey is MUIQNVSXWSJBMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H30O2/c1-13(2,3)9-10-15(7,8)12(17)11(16)14(4,5)6/h12,17H,9-10H2,1-8H3/t12-/m0/s1.
What are the key properties of (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one?
(4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one has a molecular weight of 242.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one is sourced from PubChem (CID 153306790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).