3-(2,2-dimethylbutoxymethyl)-3-ethylpentane

C14H30O — CID 22957874

IUPAC3-(2,2-dimethylbutoxymethyl)-3-ethylpentane
SMILESCCC(C)(C)COCC(CC)(CC)CC
InChIInChI=1S/C14H30O/c1-7-13(5,6)11-15-12-14(8-2,9-3)10-4/h7-12H2,1-6H3
InChIKeyIUPGZMOJXDICRU-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.66
Rot. Bonds8

About 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane

3-(2,2-dimethylbutoxymethyl)-3-ethylpentane (PubChem CID 22957874) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane.

Molecular Properties

Compound Name3-(2,2-dimethylbutoxymethyl)-3-ethylpentane
PubChem CID22957874
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-(2,2-dimethylbutoxymethyl)-3-ethylpentane
SMILESCCC(C)(C)COCC(CC)(CC)CC
InChIInChI=1S/C14H30O/c1-7-13(5,6)11-15-12-14(8-2,9-3)10-4/h7-12H2,1-6H3
InChIKeyIUPGZMOJXDICRU-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-2,2-bis(ethoxymethyl)butane
CID 20670498
1,1'-Oxybis(3,3-dimethylbutane)
CID 22662188
2-Ethoxy-2,4,4-trimethylpentane
CID 22274771
Ether, tert-butyl 3,3-dimethylbutyl
CID 546092
(2-Ethyl-1-butyl) ether
CID 524831
1-(2,2-Dimethylbutoxy)-2,2-dimethylbutane
CID 17885937
Trimethylbutyl ether
CID 20765226
Di(3-methylpentyl) ether
CID 57311152
2,2-Dimethyl 3-butoxy-butane
CID 57587820
tert-Butylmethylather
CID 117808727
3-(1,1-Difluoroethoxymethyl)-3-methylpentane
CID 130215674
1-(1-Fluoroethoxy)-3,3-dimethylbutane
CID 132099626

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane?
The IUPAC name of 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane (CID 22957874) is 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane.
What is the SMILES notation for 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane?
The canonical SMILES for 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane is CCC(C)(C)COCC(CC)(CC)CC.
What is the InChIKey of 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane?
The InChIKey is IUPGZMOJXDICRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-7-13(5,6)11-15-12-14(8-2,9-3)10-4/h7-12H2,1-6H3.
What are the key properties of 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane?
3-(2,2-dimethylbutoxymethyl)-3-ethylpentane has a molecular weight of 214.39 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutoxymethyl)-3-ethylpentane is sourced from PubChem (CID 22957874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).