3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane

C13H28O2 — CID 126681009

IUPAC3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
SMILESCC(C)OCC(COC(C)C)C(C)(C)C
InChIInChI=1S/C13H28O2/c1-10(2)14-8-12(13(5,6)7)9-15-11(3)4/h10-12H,8-9H2,1-7H3
InChIKeyOVGZYMPZNLEAIW-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.50
Rot. Bonds6

About 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane

3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane (PubChem CID 126681009) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
PubChem CID126681009
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
SMILESCC(C)OCC(COC(C)C)C(C)(C)C
InChIInChI=1S/C13H28O2/c1-10(2)14-8-12(13(5,6)7)9-15-11(3)4/h10-12H,8-9H2,1-7H3
InChIKeyOVGZYMPZNLEAIW-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83139596
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
3-methyl-2-(propan-2-yloxymethyl)butanoic acid
CID 12874289
[3,3-dimethyl-2-(trimethylsilyloxymethyl)butoxy]-trimethylsilane
CID 135070735
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane
CID 165060028
3,4-dimethyl-1-propan-2-yloxypentan-2-ol
CID 115821423
5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
CID 105140004
2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol
CID 138747059
1-[2,2-dimethylpropyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62922207
(3-methoxy-4,4-dimethyl-1-propan-2-yloxypentan-2-yl)hydrazine
CID 105273581
3-ethyl-1-propan-2-yloxypentan-2-amine
CID 105013387

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane?
The IUPAC name of 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane (CID 126681009) is 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane?
The canonical SMILES for 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane is CC(C)OCC(COC(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane?
The InChIKey is OVGZYMPZNLEAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-10(2)14-8-12(13(5,6)7)9-15-11(3)4/h10-12H,8-9H2,1-7H3.
What are the key properties of 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane?
3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane has a molecular weight of 216.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane is sourced from PubChem (CID 126681009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).