(4R)-4-hydroxy-6-methylheptan-2-one

C8H16O2 — CID 45085725

IUPAC(4R)-4-hydroxy-6-methylheptan-2-one
SMILESCC(=O)C[C@H](O)CC(C)C
InChIInChI=1S/C8H16O2/c1-6(2)4-8(10)5-7(3)9/h6,8,10H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyZVJYRWZHXCWWPC-MRVPVSSYSA-N
MW144.21 g/mol
LogP1.37
Rot. Bonds4

About (4R)-4-hydroxy-6-methylheptan-2-one

(4R)-4-hydroxy-6-methylheptan-2-one (PubChem CID 45085725) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (4R)-4-hydroxy-6-methylheptan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-6-methylheptan-2-one
PubChem CID45085725
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(4R)-4-hydroxy-6-methylheptan-2-one
SMILESCC(=O)C[C@H](O)CC(C)C
InChIInChI=1S/C8H16O2/c1-6(2)4-8(10)5-7(3)9/h6,8,10H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyZVJYRWZHXCWWPC-MRVPVSSYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-6-methylheptan-2-one?
The IUPAC name of (4R)-4-hydroxy-6-methylheptan-2-one (CID 45085725) is (4R)-4-hydroxy-6-methylheptan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-6-methylheptan-2-one?
The canonical SMILES for (4R)-4-hydroxy-6-methylheptan-2-one is CC(=O)C[C@H](O)CC(C)C.
What is the InChIKey of (4R)-4-hydroxy-6-methylheptan-2-one?
The InChIKey is ZVJYRWZHXCWWPC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)4-8(10)5-7(3)9/h6,8,10H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-4-hydroxy-6-methylheptan-2-one?
(4R)-4-hydroxy-6-methylheptan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-6-methylheptan-2-one is sourced from PubChem (CID 45085725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).