3-ethyl-2,2,4,4-tetramethylpentan-3-ol

C11H24O — CID 13031505

IUPAC3-ethyl-2,2,4,4-tetramethylpentan-3-ol
SMILESCCC(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-8-11(12,9(2,3)4)10(5,6)7/h12H,8H2,1-7H3
InChIKeyBXZQZGWENRIEAW-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds1

About 3-ethyl-2,2,4,4-tetramethylpentan-3-ol

3-ethyl-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 13031505) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-ethyl-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-ethyl-2,2,4,4-tetramethylpentan-3-ol
PubChem CID13031505
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-ethyl-2,2,4,4-tetramethylpentan-3-ol
SMILESCCC(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-8-11(12,9(2,3)4)10(5,6)7/h12H,8H2,1-7H3
InChIKeyBXZQZGWENRIEAW-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-ethyl-2,2,4,4-tetramethylpentan-3-ol (CID 13031505) is 3-ethyl-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-ethyl-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-ethyl-2,2,4,4-tetramethylpentan-3-ol is CCC(O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is BXZQZGWENRIEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-8-11(12,9(2,3)4)10(5,6)7/h12H,8H2,1-7H3.
What are the key properties of 3-ethyl-2,2,4,4-tetramethylpentan-3-ol?
3-ethyl-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 13031505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).