ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane

C12H28O3 — CID 118467120

IUPACethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane
SMILESCC(C)C(C)OC(C)C(C)C.OCCO
InChIInChI=1S/C10H22O.C2H6O2/c1-7(2)9(5)11-10(6)8(3)4;3-1-2-4/h7-10H,1-6H3;3-4H,1-2H2
InChIKeyMJEWJQBHTBATMC-UHFFFAOYSA-N
MW220.35 g/mol
LogP2.06
Rot. Bonds5

About ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane

ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane (PubChem CID 118467120) has the molecular formula C12H28O3 and a molecular weight of 220.35 g/mol. Its IUPAC name is ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane.

Molecular Properties

Compound Nameethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane
PubChem CID118467120
Molecular FormulaC12H28O3
Molecular Weight220.35 g/mol
Exact Mass220.20
IUPAC Nameethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane
SMILESCC(C)C(C)OC(C)C(C)C.OCCO
InChIInChI=1S/C10H22O.C2H6O2/c1-7(2)9(5)11-10(6)8(3)4;3-1-2-4/h7-10H,1-6H3;3-4H,1-2H2
InChIKeyMJEWJQBHTBATMC-UHFFFAOYSA-N
XLogP2.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-methyl-3-propan-2-yloxybutane
CID 40522025
3-(3-methylbutan-2-yloxy)butan-2-ylphosphane
CID 134514986
ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane
CID 87296519
3-(3-methylbutan-2-yloxy)propan-1-ol
CID 58556710
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716
2,4-dihydroxy-3-(3-methylbutan-2-yloxy)butanal
CID 157459345
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
(3S)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841194

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane?
The IUPAC name of ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane (CID 118467120) is ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane.
What is the SMILES notation for ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane?
The canonical SMILES for ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane is CC(C)C(C)OC(C)C(C)C.OCCO.
What is the InChIKey of ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane?
The InChIKey is MJEWJQBHTBATMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C2H6O2/c1-7(2)9(5)11-10(6)8(3)4;3-1-2-4/h7-10H,1-6H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane?
ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane has a molecular weight of 220.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane is sourced from PubChem (CID 118467120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).