3-methoxy-8-methylnonan-2-one

C11H22O2 — CID 87291086

IUPAC3-methoxy-8-methylnonan-2-one
SMILESCOC(CCCCC(C)C)C(C)=O
InChIInChI=1S/C11H22O2/c1-9(2)7-5-6-8-11(13-4)10(3)12/h9,11H,5-8H2,1-4H3
InChIKeyNIOAPBWACMJBBM-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds7

About 3-methoxy-8-methylnonan-2-one

3-methoxy-8-methylnonan-2-one (PubChem CID 87291086) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methoxy-8-methylnonan-2-one.

Molecular Properties

Compound Name3-methoxy-8-methylnonan-2-one
PubChem CID87291086
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methoxy-8-methylnonan-2-one
SMILESCOC(CCCCC(C)C)C(C)=O
InChIInChI=1S/C11H22O2/c1-9(2)7-5-6-8-11(13-4)10(3)12/h9,11H,5-8H2,1-4H3
InChIKeyNIOAPBWACMJBBM-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

2,7-dimethoxyoctanedioic acid
CID 22717305
3-methoxy-5,7-dimethyloctan-2-one
CID 87291206
3-methoxyhept-6-en-2-one
CID 45085639
methyl 2-methoxy-13-methyl-6,7-bis(methylsulfanyl)tetradecanoate
CID 10992502
3-methoxypentan-2-one
CID 58979809
(2S)-2-methoxy-5-methylhexanoic acid
CID 158935693
methane;3-methoxypentan-2-one
CID 158529059
(E)-5-methoxy-4,8-dimethylnon-3-en-2-one
CID 87291238
18-methylnonadecan-2-one
CID 90921447
2-methylnonadecane;propan-2-one
CID 141405407
8-methylnonan-2-one
CID 528744
6-methylheptyl acetate
CID 175958030

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-methylnonan-2-one?
The IUPAC name of 3-methoxy-8-methylnonan-2-one (CID 87291086) is 3-methoxy-8-methylnonan-2-one.
What is the SMILES notation for 3-methoxy-8-methylnonan-2-one?
The canonical SMILES for 3-methoxy-8-methylnonan-2-one is COC(CCCCC(C)C)C(C)=O.
What is the InChIKey of 3-methoxy-8-methylnonan-2-one?
The InChIKey is NIOAPBWACMJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)7-5-6-8-11(13-4)10(3)12/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-8-methylnonan-2-one?
3-methoxy-8-methylnonan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-methylnonan-2-one is sourced from PubChem (CID 87291086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).