methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate

C12H26O3 — CID 174484867

IUPACmethane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate
SMILESC.CCCCC(=O)OCCOC(C)(C)C
InChIInChI=1S/C11H22O3.CH4/c1-5-6-7-10(12)13-8-9-14-11(2,3)4;/h5-9H2,1-4H3;1H4
InChIKeyFBCVPWQBOAHKIQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.17
Rot. Bonds6

About methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate

methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate (PubChem CID 174484867) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate.

Molecular Properties

Compound Namemethane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate
PubChem CID174484867
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Namemethane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate
SMILESC.CCCCC(=O)OCCOC(C)(C)C
InChIInChI=1S/C11H22O3.CH4/c1-5-6-7-10(12)13-8-9-14-11(2,3)4;/h5-9H2,1-4H3;1H4
InChIKeyFBCVPWQBOAHKIQ-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.17
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

bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
bismuthane;propyl pentanoate
CID 174550006
2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate
CID 112588033
2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
nonyl pentanoate
CID 568602
2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate
CID 112588145
2-butanoyloxyethyl butanoate;methane
CID 161018761
dioctyl hexanedioate;methane
CID 175846314
sodium;2-dodecanoyloxyethyl octadecanoate;hydride
CID 174887882
tert-butyl pentanoate;hydrazine
CID 174371267

Frequently Asked Questions

What is the IUPAC name of methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate?
The IUPAC name of methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate (CID 174484867) is methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate.
What is the SMILES notation for methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate?
The canonical SMILES for methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate is C.CCCCC(=O)OCCOC(C)(C)C.
What is the InChIKey of methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate?
The InChIKey is FBCVPWQBOAHKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3.CH4/c1-5-6-7-10(12)13-8-9-14-11(2,3)4;/h5-9H2,1-4H3;1H4.
What are the key properties of methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate?
methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate has a molecular weight of 218.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate is sourced from PubChem (CID 174484867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).