(5R)-5-hydroxy-5,6-dimethylheptan-2-one

C9H18O2 — CID 14824861

IUPAC(5R)-5-hydroxy-5,6-dimethylheptan-2-one
SMILESCC(=O)CC[C@@](C)(O)C(C)C
InChIInChI=1S/C9H18O2/c1-7(2)9(4,11)6-5-8(3)10/h7,11H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyYQGSPFCEYYECBL-SECBINFHSA-N
MW158.24 g/mol
LogP1.76
Rot. Bonds4

About (5R)-5-hydroxy-5,6-dimethylheptan-2-one

(5R)-5-hydroxy-5,6-dimethylheptan-2-one (PubChem CID 14824861) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (5R)-5-hydroxy-5,6-dimethylheptan-2-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-5,6-dimethylheptan-2-one
PubChem CID14824861
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(5R)-5-hydroxy-5,6-dimethylheptan-2-one
SMILESCC(=O)CC[C@@](C)(O)C(C)C
InChIInChI=1S/C9H18O2/c1-7(2)9(4,11)6-5-8(3)10/h7,11H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyYQGSPFCEYYECBL-SECBINFHSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-5-propan-2-ylnonan-2-one
CID 157356592
(6E)-6-(dimethylhydrazinylidene)-2,3-dimethylheptan-3-ol
CID 14824858
(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal
CID 156834915
5-ethyl-5-hydroxyheptan-2-one
CID 114494669
6-hydroxy-6-methylnonan-2-one
CID 90772739
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
5-hydroxy-2,2,5,6-tetramethylheptan-3-one
CID 134924643
5-tert-butyl-7-methyloctan-2-one
CID 102458733
hexane-2,5-dione
CID 8035
2,2,6,7-tetramethyloctane-3,6-diol
CID 114496700
5-hydroxy-5,6-dimethylheptan-3-one
CID 134924027
2,3-dimethyltridecan-3-ol
CID 14591139

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-5,6-dimethylheptan-2-one?
The IUPAC name of (5R)-5-hydroxy-5,6-dimethylheptan-2-one (CID 14824861) is (5R)-5-hydroxy-5,6-dimethylheptan-2-one.
What is the SMILES notation for (5R)-5-hydroxy-5,6-dimethylheptan-2-one?
The canonical SMILES for (5R)-5-hydroxy-5,6-dimethylheptan-2-one is CC(=O)CC[C@@](C)(O)C(C)C.
What is the InChIKey of (5R)-5-hydroxy-5,6-dimethylheptan-2-one?
The InChIKey is YQGSPFCEYYECBL-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)9(4,11)6-5-8(3)10/h7,11H,5-6H2,1-4H3/t9-/m1/s1.
What are the key properties of (5R)-5-hydroxy-5,6-dimethylheptan-2-one?
(5R)-5-hydroxy-5,6-dimethylheptan-2-one has a molecular weight of 158.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-5,6-dimethylheptan-2-one is sourced from PubChem (CID 14824861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).