3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol

C12H28O2 — CID 145235291

IUPAC3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCC(O)(CC)C(C)C
InChIInChI=1S/C8H18O.C4H10O/c1-5-8(9,6-2)7(3)4;1-4(2,3)5/h7,9H,5-6H2,1-4H3;5H,1-3H3
InChIKeyAQZLUXUUZRXXKS-UHFFFAOYSA-N
MW204.35 g/mol
LogP2.97
Rot. Bonds3

About 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol

3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol (PubChem CID 145235291) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol.

Molecular Properties

Compound Name3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol
PubChem CID145235291
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCC(O)(CC)C(C)C
InChIInChI=1S/C8H18O.C4H10O/c1-5-8(9,6-2)7(3)4;1-4(2,3)5/h7,9H,5-6H2,1-4H3;5H,1-3H3
InChIKeyAQZLUXUUZRXXKS-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol?
The IUPAC name of 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol (CID 145235291) is 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol.
What is the SMILES notation for 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol?
The canonical SMILES for 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol is CC(C)(C)O.CCC(O)(CC)C(C)C.
What is the InChIKey of 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol?
The InChIKey is AQZLUXUUZRXXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H10O/c1-5-8(9,6-2)7(3)4;1-4(2,3)5/h7,9H,5-6H2,1-4H3;5H,1-3H3.
What are the key properties of 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol?
3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol has a molecular weight of 204.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylpentan-3-ol;2-methylpropan-2-ol is sourced from PubChem (CID 145235291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).