(4R)-4-methylheptan-3-one

C8H16O — CID 12696684

IUPAC(4R)-4-methylheptan-3-one
SMILESCCC[C@@H](C)C(=O)CC
InChIInChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyMVLRILUUXLBENA-SSDOTTSWSA-N
MW128.21 g/mol
LogP2.40
Rot. Bonds4

About (4R)-4-methylheptan-3-one

(4R)-4-methylheptan-3-one (PubChem CID 12696684) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (4R)-4-methylheptan-3-one.

Molecular Properties

Compound Name(4R)-4-methylheptan-3-one
PubChem CID12696684
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(4R)-4-methylheptan-3-one
SMILESCCC[C@@H](C)C(=O)CC
InChIInChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyMVLRILUUXLBENA-SSDOTTSWSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyloctan-4-one
CID 88817499
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
1-hydroxy-4-methylheptan-3-one
CID 87401678
(6S)-4,6-dimethylnonan-5-one
CID 177467625
4,5-dimethyloctan-3-one
CID 107895813
(4R)-4-propan-2-ylheptan-3-one
CID 95003187
2-methylpentane;2-methylpentan-3-one
CID 160798944
1-(ethylamino)-3-methylhexan-2-one
CID 107889963
2,5-dimethyloct-1-en-4-one
CID 115780450
9-hydroxy-4,7-dimethylnonan-3-one
CID 139899444
(2R)-2-methylpentanoyl chloride
CID 7160703
CID 159174397
CID 159174397

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylheptan-3-one?
The IUPAC name of (4R)-4-methylheptan-3-one (CID 12696684) is (4R)-4-methylheptan-3-one.
What is the SMILES notation for (4R)-4-methylheptan-3-one?
The canonical SMILES for (4R)-4-methylheptan-3-one is CCC[C@@H](C)C(=O)CC.
What is the InChIKey of (4R)-4-methylheptan-3-one?
The InChIKey is MVLRILUUXLBENA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (4R)-4-methylheptan-3-one?
(4R)-4-methylheptan-3-one has a molecular weight of 128.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylheptan-3-one is sourced from PubChem (CID 12696684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).