3-tert-butyl-4,4-dimethylpentan-2-ol

C11H24O — CID 59805518

IUPAC3-tert-butyl-4,4-dimethylpentan-2-ol
SMILESCC(O)C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-8(12)9(10(2,3)4)11(5,6)7/h8-9,12H,1-7H3
InChIKeyGEWURCZCCQHYQU-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.08
Rot. Bonds1

About 3-tert-butyl-4,4-dimethylpentan-2-ol

3-tert-butyl-4,4-dimethylpentan-2-ol (PubChem CID 59805518) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-tert-butyl-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name3-tert-butyl-4,4-dimethylpentan-2-ol
PubChem CID59805518
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-tert-butyl-4,4-dimethylpentan-2-ol
SMILESCC(O)C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-8(12)9(10(2,3)4)11(5,6)7/h8-9,12H,1-7H3
InChIKeyGEWURCZCCQHYQU-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,4-dimethylpentan-2-ol?
The IUPAC name of 3-tert-butyl-4,4-dimethylpentan-2-ol (CID 59805518) is 3-tert-butyl-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 3-tert-butyl-4,4-dimethylpentan-2-ol?
The canonical SMILES for 3-tert-butyl-4,4-dimethylpentan-2-ol is CC(O)C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4,4-dimethylpentan-2-ol?
The InChIKey is GEWURCZCCQHYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-8(12)9(10(2,3)4)11(5,6)7/h8-9,12H,1-7H3.
What are the key properties of 3-tert-butyl-4,4-dimethylpentan-2-ol?
3-tert-butyl-4,4-dimethylpentan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 59805518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).