(6R)-6-methylnonane-2,4-dione

C10H18O2 — CID 98210989

IUPAC(6R)-6-methylnonane-2,4-dione
SMILESCCC[C@@H](C)CC(=O)CC(C)=O
InChIInChI=1S/C10H18O2/c1-4-5-8(2)6-10(12)7-9(3)11/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyNWFKJTHARDWYII-MRVPVSSYSA-N
MW170.25 g/mol
LogP2.36
Rot. Bonds6

About (6R)-6-methylnonane-2,4-dione

(6R)-6-methylnonane-2,4-dione (PubChem CID 98210989) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (6R)-6-methylnonane-2,4-dione.

Molecular Properties

Compound Name(6R)-6-methylnonane-2,4-dione
PubChem CID98210989
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(6R)-6-methylnonane-2,4-dione
SMILESCCC[C@@H](C)CC(=O)CC(C)=O
InChIInChI=1S/C10H18O2/c1-4-5-8(2)6-10(12)7-9(3)11/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyNWFKJTHARDWYII-MRVPVSSYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methylheptan-2-one
CID 142986053
5-methyloctane-2,3-dione
CID 20560355
7-ethyl-6,8-dihydroxyundecane-2,4-dione
CID 57154392
(9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione
CID 132571018
4-methyltetradecan-6-one
CID 12635285
3-methylhexanoate
CID 22322574
6,10-dimethylpentadecan-8-one
CID 150688801
5-methyl-2-(methylamino)octan-3-one
CID 116564979
3-methyl-N-propylhexanamide
CID 143315126
1-methoxy-6-methylnonan-4-one
CID 65092431
(3R)-N,N,3-trimethylhexanamide
CID 170848594
1,1-difluoro-4-methylheptan-2-one
CID 112574315

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methylnonane-2,4-dione?
The IUPAC name of (6R)-6-methylnonane-2,4-dione (CID 98210989) is (6R)-6-methylnonane-2,4-dione.
What is the SMILES notation for (6R)-6-methylnonane-2,4-dione?
The canonical SMILES for (6R)-6-methylnonane-2,4-dione is CCC[C@@H](C)CC(=O)CC(C)=O.
What is the InChIKey of (6R)-6-methylnonane-2,4-dione?
The InChIKey is NWFKJTHARDWYII-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-8(2)6-10(12)7-9(3)11/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (6R)-6-methylnonane-2,4-dione?
(6R)-6-methylnonane-2,4-dione has a molecular weight of 170.25 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methylnonane-2,4-dione is sourced from PubChem (CID 98210989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).