8-methoxy-8-methylnonan-3-one

C11H22O2 — CID 103037503

IUPAC8-methoxy-8-methylnonan-3-one
SMILESCCC(=O)CCCCC(C)(C)OC
InChIInChI=1S/C11H22O2/c1-5-10(12)8-6-7-9-11(2,3)13-4/h5-9H2,1-4H3
InChIKeyXPTKEFFFGMFFHU-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.95
Rot. Bonds7

About 8-methoxy-8-methylnonan-3-one

8-methoxy-8-methylnonan-3-one (PubChem CID 103037503) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 8-methoxy-8-methylnonan-3-one.

Molecular Properties

Compound Name8-methoxy-8-methylnonan-3-one
PubChem CID103037503
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name8-methoxy-8-methylnonan-3-one
SMILESCCC(=O)CCCCC(C)(C)OC
InChIInChI=1S/C11H22O2/c1-5-10(12)8-6-7-9-11(2,3)13-4/h5-9H2,1-4H3
InChIKeyXPTKEFFFGMFFHU-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium
CID 88652697
methane;undecane-3,9-dione
CID 158816586
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903
2,4,4-trimethylpentan-2-yl N-(5-oxoheptyl)carbamate
CID 170945583
heptadecane-3,7,11,15-tetrone
CID 160942813
N-methylmethanamine;octan-3-one
CID 174828538
7-methoxy-7-methyloctan-1-ol
CID 175444354
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
1-hydroxydodecane-2,10-dione
CID 158814981
1-ethoxy-6-methoxy-6-methylheptan-3-one
CID 103024480
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
10-methoxy-2,10-dimethylundecanoic acid
CID 138478645

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8-methylnonan-3-one?
The IUPAC name of 8-methoxy-8-methylnonan-3-one (CID 103037503) is 8-methoxy-8-methylnonan-3-one.
What is the SMILES notation for 8-methoxy-8-methylnonan-3-one?
The canonical SMILES for 8-methoxy-8-methylnonan-3-one is CCC(=O)CCCCC(C)(C)OC.
What is the InChIKey of 8-methoxy-8-methylnonan-3-one?
The InChIKey is XPTKEFFFGMFFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-10(12)8-6-7-9-11(2,3)13-4/h5-9H2,1-4H3.
What are the key properties of 8-methoxy-8-methylnonan-3-one?
8-methoxy-8-methylnonan-3-one has a molecular weight of 186.29 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-8-methylnonan-3-one is sourced from PubChem (CID 103037503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).