3-(2,2-dimethylpropoxy)butan-2-ol

C9H20O2 — CID 551306

IUPAC3-(2,2-dimethylpropoxy)butan-2-ol
SMILESCC(O)C(C)OCC(C)(C)C
InChIInChI=1S/C9H20O2/c1-7(10)8(2)11-6-9(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyBUDPZWULIDBRBH-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds3

About 3-(2,2-dimethylpropoxy)butan-2-ol

3-(2,2-dimethylpropoxy)butan-2-ol (PubChem CID 551306) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)butan-2-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)butan-2-ol
PubChem CID551306
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-(2,2-dimethylpropoxy)butan-2-ol
SMILESCC(O)C(C)OCC(C)(C)C
InChIInChI=1S/C9H20O2/c1-7(10)8(2)11-6-9(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyBUDPZWULIDBRBH-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-Butoxy-2-propanol
CID 92629
Dipropylene glycol n-butyl ether
CID 24752
Dipropylene Glycol
CID 134692469
Dipropylene glycol monomethyl ether
CID 25484
Tripropyleneglycol monomethyl ether
CID 30111
1-Propanol, 2-(2-(2-methoxypropoxy)propoxy)-
CID 25054
1-(1-Methyl-2-propoxyethoxy)2-propanol
CID 121752
1-(2-Butoxyethoxy)-2-propanol
CID 31287
Dipropylene glycol monoethyl ether
CID 93059
2-Butoxy-1-propanol
CID 177691
2-(2-Hydroxypropoxy)-1-propanol
CID 32881
Ethanol, 2-(2-(1-methylethoxy)ethoxy)-
CID 79429

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)butan-2-ol?
The IUPAC name of 3-(2,2-dimethylpropoxy)butan-2-ol (CID 551306) is 3-(2,2-dimethylpropoxy)butan-2-ol.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)butan-2-ol?
The canonical SMILES for 3-(2,2-dimethylpropoxy)butan-2-ol is CC(O)C(C)OCC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropoxy)butan-2-ol?
The InChIKey is BUDPZWULIDBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-7(10)8(2)11-6-9(3,4)5/h7-8,10H,6H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropoxy)butan-2-ol?
3-(2,2-dimethylpropoxy)butan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)butan-2-ol is sourced from PubChem (CID 551306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).