methane;2-methoxyethyl 2-methylbutanoate

C10H24O3 — CID 165084023

IUPACmethane;2-methoxyethyl 2-methylbutanoate
SMILESC.C.CCC(C)C(=O)OCCOC
InChIInChI=1S/C8H16O3.2CH4/c1-4-7(2)8(9)11-6-5-10-3;;/h7H,4-6H2,1-3H3;2*1H4
InChIKeyVOYVLSWPNFKZIQ-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.49
Rot. Bonds5

About methane;2-methoxyethyl 2-methylbutanoate

methane;2-methoxyethyl 2-methylbutanoate (PubChem CID 165084023) has the molecular formula C10H24O3 and a molecular weight of 192.30 g/mol. Its IUPAC name is methane;2-methoxyethyl 2-methylbutanoate.

Molecular Properties

Compound Namemethane;2-methoxyethyl 2-methylbutanoate
PubChem CID165084023
Molecular FormulaC10H24O3
Molecular Weight192.30 g/mol
Exact Mass192.17
IUPAC Namemethane;2-methoxyethyl 2-methylbutanoate
SMILESC.C.CCC(C)C(=O)OCCOC
InChIInChI=1S/C8H16O3.2CH4/c1-4-7(2)8(9)11-6-5-10-3;;/h7H,4-6H2,1-3H3;2*1H4
InChIKeyVOYVLSWPNFKZIQ-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl (2R)-2-methylbutanoate
CID 86306230
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
pentakis(2-methoxyethyl) 1-methylundecane-1,3,5,7,9-pentacarboxylate
CID 166057614
2-methoxyethyl 2,4-dimethylpentanoate
CID 142740017
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058
3-methylpentyl 2-methylbutanoate
CID 3019319
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
hydroperoxy-[2-(2-methylbutanoyloxy)ethoxymethyl]phosphinic acid
CID 91109669
ethane;ethyl 2-methylbutanoate
CID 144747106

Frequently Asked Questions

What is the IUPAC name of methane;2-methoxyethyl 2-methylbutanoate?
The IUPAC name of methane;2-methoxyethyl 2-methylbutanoate (CID 165084023) is methane;2-methoxyethyl 2-methylbutanoate.
What is the SMILES notation for methane;2-methoxyethyl 2-methylbutanoate?
The canonical SMILES for methane;2-methoxyethyl 2-methylbutanoate is C.C.CCC(C)C(=O)OCCOC.
What is the InChIKey of methane;2-methoxyethyl 2-methylbutanoate?
The InChIKey is VOYVLSWPNFKZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.2CH4/c1-4-7(2)8(9)11-6-5-10-3;;/h7H,4-6H2,1-3H3;2*1H4.
What are the key properties of methane;2-methoxyethyl 2-methylbutanoate?
methane;2-methoxyethyl 2-methylbutanoate has a molecular weight of 192.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxyethyl 2-methylbutanoate is sourced from PubChem (CID 165084023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).