(4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione

C16H30O4 — CID 163628252

IUPAC(4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione
SMILESCC(=O)C[C@](O)(CCC[C@@H](O)C(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H30O4/c1-11(2)13(18)8-7-9-16(20,10-12(3)17)14(19)15(4,5)6/h11,13,18,20H,7-10H2,1-6H3/t13-,16-/m1/s1
InChIKeyGXGDHJZDNSKVTM-CZUORRHYSA-N
MW286.41 g/mol
LogP2.50
Rot. Bonds8

About (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione

(4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione (PubChem CID 163628252) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione
PubChem CID163628252
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name(4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione
SMILESCC(=O)C[C@](O)(CCC[C@@H](O)C(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H30O4/c1-11(2)13(18)8-7-9-16(20,10-12(3)17)14(19)15(4,5)6/h11,13,18,20H,7-10H2,1-6H3/t13-,16-/m1/s1
InChIKeyGXGDHJZDNSKVTM-CZUORRHYSA-N
XLogP2.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione with MolForge

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Related Compounds

4-[(3S,4R)-3,4-dihydroxy-5-methylhexyl]-4-hydroxy-6,6-dimethylheptane-2,5-dione
CID 170053262
(4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione
CID 163696091
(4R)-4-(3,3-dimethylbut-1-en-2-yl)-4-hydroxy-8-methylnonan-2-one
CID 163886258
2,7,7-trimethylnonan-3-ol
CID 162360269
2,6,6-trimethylheptan-3-ol
CID 20577986
(3R)-2,7-dimethyloct-7-en-3-ol
CID 124511716
2,7-dimethyloct-7-en-3-ol
CID 79185633
(4R)-4-(3,3-dimethylbut-1-en-2-yl)-4,7-dihydroxy-7-methyloctan-2-one
CID 163886257
4-hydroxy-4-methylpentan-2-one
CID 87257073
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
3-hydroxy-3-propylhexane-2,5-dione
CID 57020206
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione?
The IUPAC name of (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione (CID 163628252) is (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione.
What is the SMILES notation for (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione?
The canonical SMILES for (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione is CC(=O)C[C@](O)(CCC[C@@H](O)C(C)C)C(=O)C(C)(C)C.
What is the InChIKey of (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione?
The InChIKey is GXGDHJZDNSKVTM-CZUORRHYSA-N. The full InChI is InChI=1S/C16H30O4/c1-11(2)13(18)8-7-9-16(20,10-12(3)17)14(19)15(4,5)6/h11,13,18,20H,7-10H2,1-6H3/t13-,16-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione?
(4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione has a molecular weight of 286.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4-[(4R)-4-hydroxy-5-methylhexyl]-6,6-dimethylheptane-2,5-dione is sourced from PubChem (CID 163628252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).