(4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one

C13H26O2 — CID 153298834

IUPAC(4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one
SMILESCC(C)(C)C(=O)[C@H](O)C(C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-11(2,3)9(14)10(15)13(7,8)12(4,5)6/h10,15H,1-8H3/t10-/m0/s1
InChIKeyMVNIYIWDOLOXIP-JTQLQIEISA-N
MW214.35 g/mol
LogP3.03
Rot. Bonds2

About (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one

(4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one (PubChem CID 153298834) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one
PubChem CID153298834
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one
SMILESCC(C)(C)C(=O)[C@H](O)C(C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-11(2,3)9(14)10(15)13(7,8)12(4,5)6/h10,15H,1-8H3/t10-/m0/s1
InChIKeyMVNIYIWDOLOXIP-JTQLQIEISA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-hydroxy-2,2,5,5,8,8-hexamethylnonan-3-one
CID 153306790
(4S)-4-hydroxy-2,2-dimethylhexan-3-one
CID 170275468
(2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane
CID 160834732
lithium 2,2,6,6-tetramethyl-3,5-dioxoheptan-4-olate
CID 102304336
(4S,5S)-5-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylheptan-3-one
CID 134905198
4-hydroxy-2,2-dimethylheptan-3-one
CID 103453766
4-chloro-2,2,5,5-tetramethylhexan-3-one
CID 11183114
4-ethyl-2,2-dimethylhexan-3-one
CID 15584308
(4R,5R)-5-hydroxy-2,2,4-trimethylheptan-3-one
CID 131857696
(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
(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one
CID 88908613

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one?
The IUPAC name of (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one (CID 153298834) is (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one.
What is the SMILES notation for (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one?
The canonical SMILES for (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one is CC(C)(C)C(=O)[C@H](O)C(C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one?
The InChIKey is MVNIYIWDOLOXIP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H26O2/c1-11(2,3)9(14)10(15)13(7,8)12(4,5)6/h10,15H,1-8H3/t10-/m0/s1.
What are the key properties of (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one?
(4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one has a molecular weight of 214.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2,2,5,5,6,6-hexamethylheptan-3-one is sourced from PubChem (CID 153298834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).