methoxymethane;methylcyclopropane;propane;propan-2-one

C12H28O2 — CID 158263455

IUPACmethoxymethane;methylcyclopropane;propane;propan-2-one
SMILESCC(C)=O.CC1CC1.CCC.COC
InChIInChI=1S/C4H8.C3H6O.C3H8.C2H6O/c1-4-2-3-4;1-3(2)4;2*1-3-2/h4H,2-3H2,1H3;1-2H3;3H2,1-2H3;1-2H3
InChIKeyGIDQXHUOXAJXBK-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.69
Rot. Bonds

About methoxymethane;methylcyclopropane;propane;propan-2-one

methoxymethane;methylcyclopropane;propane;propan-2-one (PubChem CID 158263455) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is methoxymethane;methylcyclopropane;propane;propan-2-one.

Molecular Properties

Compound Namemethoxymethane;methylcyclopropane;propane;propan-2-one
PubChem CID158263455
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Namemethoxymethane;methylcyclopropane;propane;propan-2-one
SMILESCC(C)=O.CC1CC1.CCC.COC
InChIInChI=1S/C4H8.C3H6O.C3H8.C2H6O/c1-4-2-3-4;1-3(2)4;2*1-3-2/h4H,2-3H2,1H3;1-2H3;3H2,1-2H3;1-2H3
InChIKeyGIDQXHUOXAJXBK-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142033717
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
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1-butoxybutane;propan-2-one
CID 18424800
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Frequently Asked Questions

What is the IUPAC name of methoxymethane;methylcyclopropane;propane;propan-2-one?
The IUPAC name of methoxymethane;methylcyclopropane;propane;propan-2-one (CID 158263455) is methoxymethane;methylcyclopropane;propane;propan-2-one.
What is the SMILES notation for methoxymethane;methylcyclopropane;propane;propan-2-one?
The canonical SMILES for methoxymethane;methylcyclopropane;propane;propan-2-one is CC(C)=O.CC1CC1.CCC.COC.
What is the InChIKey of methoxymethane;methylcyclopropane;propane;propan-2-one?
The InChIKey is GIDQXHUOXAJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H6O.C3H8.C2H6O/c1-4-2-3-4;1-3(2)4;2*1-3-2/h4H,2-3H2,1H3;1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of methoxymethane;methylcyclopropane;propane;propan-2-one?
methoxymethane;methylcyclopropane;propane;propan-2-one has a molecular weight of 204.35 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methylcyclopropane;propane;propan-2-one is sourced from PubChem (CID 158263455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).