3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol

C11H24O2 — CID 90834044

IUPAC3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol
SMILESCCC(C)(C)OCCC(C)C(C)O
InChIInChI=1S/C11H24O2/c1-6-11(4,5)13-8-7-9(2)10(3)12/h9-10,12H,6-8H2,1-5H3
InChIKeyAEULNXKOTMCLJR-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds6

About 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol

3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol (PubChem CID 90834044) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol
PubChem CID90834044
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol
SMILESCCC(C)(C)OCCC(C)C(C)O
InChIInChI=1S/C11H24O2/c1-6-11(4,5)13-8-7-9(2)10(3)12/h9-10,12H,6-8H2,1-5H3
InChIKeyAEULNXKOTMCLJR-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol?
The IUPAC name of 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol (CID 90834044) is 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol.
What is the SMILES notation for 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol?
The canonical SMILES for 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol is CCC(C)(C)OCCC(C)C(C)O.
What is the InChIKey of 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol?
The InChIKey is AEULNXKOTMCLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-11(4,5)13-8-7-9(2)10(3)12/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol?
3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol is sourced from PubChem (CID 90834044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).