3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol

C9H20O2 — CID 87926743

IUPAC3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESCC(C)CC(O)OC(C)(C)C
InChIInChI=1S/C9H20O2/c1-7(2)6-8(10)11-9(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyZVZGBURHYNIKDZ-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.17
Rot. Bonds3

About 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol

3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol (PubChem CID 87926743) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
PubChem CID87926743
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESCC(C)CC(O)OC(C)(C)C
InChIInChI=1S/C9H20O2/c1-7(2)6-8(10)11-9(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyZVZGBURHYNIKDZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
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

3-methyl-1-(trichloromethoxy)butan-1-ol
CID 175170617
2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 89297728
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane
CID 91085775
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol
CID 134572706
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629
4-hydroperoxy-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 88961632
3,3,5-trimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]hexane
CID 174888059
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 123308582

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol (CID 87926743) is 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol.
What is the SMILES notation for 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The canonical SMILES for 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol is CC(C)CC(O)OC(C)(C)C.
What is the InChIKey of 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The InChIKey is ZVZGBURHYNIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-7(2)6-8(10)11-9(3,4)5/h7-8,10H,6H2,1-5H3.
What are the key properties of 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol?
3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol is sourced from PubChem (CID 87926743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).