2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane

C12H26O2 — CID 134572813

IUPAC2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane
SMILESCC(OC(C)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H26O2/c1-9(11(3,4)5)13-10(2)14-12(6,7)8/h9-10H,1-8H3
InChIKeyCFRPEYQGQRHYQL-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.60
Rot. Bonds3

About 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane

2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane (PubChem CID 134572813) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane
PubChem CID134572813
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane
SMILESCC(OC(C)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H26O2/c1-9(11(3,4)5)13-10(2)14-12(6,7)8/h9-10H,1-8H3
InChIKeyCFRPEYQGQRHYQL-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 87508995
(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
CID 168729792
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane
CID 175098848
2,2,2-trichloro-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 71350127
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 134406960
(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol
CID 58468925
2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane
CID 158609051
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide
CID 173066924
3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane
CID 121371563
ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium
CID 23418603

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane?
The IUPAC name of 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane (CID 134572813) is 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane.
What is the SMILES notation for 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane?
The canonical SMILES for 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane is CC(OC(C)C(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane?
The InChIKey is CFRPEYQGQRHYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-9(11(3,4)5)13-10(2)14-12(6,7)8/h9-10H,1-8H3.
What are the key properties of 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane?
2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane has a molecular weight of 202.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane is sourced from PubChem (CID 134572813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).