(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one

C12H24O2 — CID 102096486

IUPAC(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one
SMILESCC(=O)CCC(CC[C@H](C)O)C(C)C
InChIInChI=1S/C12H24O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h9-10,12-13H,5-8H2,1-4H3/t10-,12?/m0/s1
InChIKeyUYOFZKPSCHXDGY-NUHJPDEHSA-N
MW200.32 g/mol
LogP2.79
Rot. Bonds7

About (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one

(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one (PubChem CID 102096486) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one.

Molecular Properties

Compound Name(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one
PubChem CID102096486
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one
SMILESCC(=O)CCC(CC[C@H](C)O)C(C)C
InChIInChI=1S/C12H24O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h9-10,12-13H,5-8H2,1-4H3/t10-,12?/m0/s1
InChIKeyUYOFZKPSCHXDGY-NUHJPDEHSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one?
The IUPAC name of (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one (CID 102096486) is (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one.
What is the SMILES notation for (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one?
The canonical SMILES for (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one is CC(=O)CCC(CC[C@H](C)O)C(C)C.
What is the InChIKey of (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one?
The InChIKey is UYOFZKPSCHXDGY-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h9-10,12-13H,5-8H2,1-4H3/t10-,12?/m0/s1.
What are the key properties of (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one?
(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one has a molecular weight of 200.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one is sourced from PubChem (CID 102096486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).