methyl 2-methoxy-2-methylhexaneperoxoate

C9H18O4 — CID 174751115

IUPACmethyl 2-methoxy-2-methylhexaneperoxoate
SMILESCCCCC(C)(OC)C(=O)OOC
InChIInChI=1S/C9H18O4/c1-5-6-7-9(2,11-3)8(10)13-12-4/h5-7H2,1-4H3
InChIKeyLGSVSNILCPIDJT-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.69
Rot. Bonds6

About methyl 2-methoxy-2-methylhexaneperoxoate

methyl 2-methoxy-2-methylhexaneperoxoate (PubChem CID 174751115) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl 2-methoxy-2-methylhexaneperoxoate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-methylhexaneperoxoate
PubChem CID174751115
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Namemethyl 2-methoxy-2-methylhexaneperoxoate
SMILESCCCCC(C)(OC)C(=O)OOC
InChIInChI=1S/C9H18O4/c1-5-6-7-9(2,11-3)8(10)13-12-4/h5-7H2,1-4H3
InChIKeyLGSVSNILCPIDJT-UHFFFAOYSA-N
XLogP1.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-2-methylhexanoate
CID 91619299
3-methoxy-3-methylheptan-2-one
CID 87290850
methyl 2,2-dimethylpentaneperoxoate
CID 150776047
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
3-methoxy-3-methylhexan-2-one
CID 83225432
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
hexane;2-methoxy-2-methylpropane;propan-2-one
CID 88654255
3-methoxy-2,3-dimethylundec-1-ene
CID 155803303
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
dimethyl 2-butyl-2,4,4-trimethylpentanedioate
CID 18710794
iodomethyl 2-amino-2-methylhexanoate
CID 155453624
2-methylhexan-2-yloxy hydrogen carbonate
CID 87195122

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2-methylhexaneperoxoate?
The IUPAC name of methyl 2-methoxy-2-methylhexaneperoxoate (CID 174751115) is methyl 2-methoxy-2-methylhexaneperoxoate.
What is the SMILES notation for methyl 2-methoxy-2-methylhexaneperoxoate?
The canonical SMILES for methyl 2-methoxy-2-methylhexaneperoxoate is CCCCC(C)(OC)C(=O)OOC.
What is the InChIKey of methyl 2-methoxy-2-methylhexaneperoxoate?
The InChIKey is LGSVSNILCPIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-5-6-7-9(2,11-3)8(10)13-12-4/h5-7H2,1-4H3.
What are the key properties of methyl 2-methoxy-2-methylhexaneperoxoate?
methyl 2-methoxy-2-methylhexaneperoxoate has a molecular weight of 190.24 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-methylhexaneperoxoate is sourced from PubChem (CID 174751115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).