2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol

C10H22O2 — CID 123870350

IUPAC2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
SMILESCC(C)(C)CCOC(C)(C)CO
InChIInChI=1S/C10H22O2/c1-9(2,3)6-7-12-10(4,5)8-11/h11H,6-8H2,1-5H3
InChIKeyYZHFAALCWPPOKS-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds4

About 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol

2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol (PubChem CID 123870350) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
PubChem CID123870350
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
SMILESCC(C)(C)CCOC(C)(C)CO
InChIInChI=1S/C10H22O2/c1-9(2,3)6-7-12-10(4,5)8-11/h11H,6-8H2,1-5H3
InChIKeyYZHFAALCWPPOKS-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol
CID 90360547
2-(2-hydrazinylethoxy)-2-methylpropan-1-ol
CID 126700280
3,3-dimethyl-1-(2-methylpent-4-yn-2-yloxy)butane
CID 123970700
2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol
CID 174354791
3-[2-(3,3-dimethylbutoxy)-2-methylpropyl]oxiran-2-amine
CID 155444682
3-amino-3-(3,3-dimethylbutoxy)butan-2-one
CID 174294149
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol
CID 121265139

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol (CID 123870350) is 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol is CC(C)(C)CCOC(C)(C)CO.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol?
The InChIKey is YZHFAALCWPPOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(2,3)6-7-12-10(4,5)8-11/h11H,6-8H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol?
2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 123870350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).