8-methylnonan-2-one

C10H20O — CID 528744

IUPAC8-methylnonan-2-one
SMILESCC(=O)CCCCCC(C)C
InChIInChI=1S/C10H20O/c1-9(2)7-5-4-6-8-10(3)11/h9H,4-8H2,1-3H3
InChIKeyQVXVZMFDDPTNBK-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.18
Rot. Bonds6

About 8-methylnonan-2-one

8-methylnonan-2-one (PubChem CID 528744) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 8-methylnonan-2-one.

Molecular Properties

Compound Name8-methylnonan-2-one
PubChem CID528744
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name8-methylnonan-2-one
SMILESCC(=O)CCCCCC(C)C
InChIInChI=1S/C10H20O/c1-9(2)7-5-4-6-8-10(3)11/h9H,4-8H2,1-3H3
InChIKeyQVXVZMFDDPTNBK-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

18-methylnonadecan-2-one
CID 90921447
14-methylpentadecane-2,8-dione
CID 159096890
ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen
CID 169159535
8,10-dimethylundecan-2-one
CID 90238828
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
18,18-dihydroxyoctadecan-2-one
CID 123837048
2,16-dimethylheptadecan-6-one
CID 158111781
16-methylheptadecanoic acid
CID 87200881
3,12-dimethyltridec-2-enoic acid
CID 54254777
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
8-methylnonanoic acid;zinc
CID 175431403

Frequently Asked Questions

What is the IUPAC name of 8-methylnonan-2-one?
The IUPAC name of 8-methylnonan-2-one (CID 528744) is 8-methylnonan-2-one.
What is the SMILES notation for 8-methylnonan-2-one?
The canonical SMILES for 8-methylnonan-2-one is CC(=O)CCCCCC(C)C.
What is the InChIKey of 8-methylnonan-2-one?
The InChIKey is QVXVZMFDDPTNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)7-5-4-6-8-10(3)11/h9H,4-8H2,1-3H3.
What are the key properties of 8-methylnonan-2-one?
8-methylnonan-2-one has a molecular weight of 156.27 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonan-2-one is sourced from PubChem (CID 528744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).