4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol

C12H26O2 — CID 57304463

IUPAC4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol
SMILESCC(OCC(C)C(C)(C)O)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-9(12(6,7)13)8-14-10(2)11(3,4)5/h9-10,13H,8H2,1-7H3
InChIKeyPQRXCOJAHHXBJG-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.84
Rot. Bonds4

About 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol

4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol (PubChem CID 57304463) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol
PubChem CID57304463
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol
SMILESCC(OCC(C)C(C)(C)O)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-9(12(6,7)13)8-14-10(2)11(3,4)5/h9-10,13H,8H2,1-7H3
InChIKeyPQRXCOJAHHXBJG-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol
CID 138747059
(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol
CID 167005628
5,5,5-trimethoxy-2,3-dimethylpentan-2-ol
CID 171063196
3,3-dimethylbutan-2-yloxymethylhydrazine
CID 166774149
2,3,6-trimethylheptan-2-ol
CID 59087571
2,3,5-trimethyloctan-2-ol
CID 123479971
4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol
CID 143201598
N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide
CID 89118236
(3S)-2,4-dimethyl-3-propoxypentan-2-ol
CID 58469720
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol
CID 87601650
2,2,6-trimethyloctane
CID 522006

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol?
The IUPAC name of 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol (CID 57304463) is 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol is CC(OCC(C)C(C)(C)O)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol?
The InChIKey is PQRXCOJAHHXBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-9(12(6,7)13)8-14-10(2)11(3,4)5/h9-10,13H,8H2,1-7H3.
What are the key properties of 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol?
4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 57304463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).