3-methylbutan-1-ol;phenol;ytterbium

C11H18O2Yb — CID 139987500

IUPAC3-methylbutan-1-ol;phenol;ytterbium
SMILESCC(C)CCO.Oc1ccccc1.[Yb]
InChIInChI=1S/C6H6O.C5H12O.Yb/c7-6-4-2-1-3-5-6;1-5(2)3-4-6;/h1-5,7H;5-6H,3-4H2,1-2H3;
InChIKeyDAXJIOMLLFZEKZ-UHFFFAOYSA-N
MW355.30 g/mol
LogP2.42
Rot. Bonds2

About 3-methylbutan-1-ol;phenol;ytterbium

3-methylbutan-1-ol;phenol;ytterbium (PubChem CID 139987500) has the molecular formula C11H18O2Yb and a molecular weight of 355.30 g/mol. Its IUPAC name is 3-methylbutan-1-ol;phenol;ytterbium.

Molecular Properties

Compound Name3-methylbutan-1-ol;phenol;ytterbium
PubChem CID139987500
Molecular FormulaC11H18O2Yb
Molecular Weight355.30 g/mol
Exact Mass356.07
IUPAC Name3-methylbutan-1-ol;phenol;ytterbium
SMILESCC(C)CCO.Oc1ccccc1.[Yb]
InChIInChI=1S/C6H6O.C5H12O.Yb/c7-6-4-2-1-3-5-6;1-5(2)3-4-6;/h1-5,7H;5-6H,3-4H2,1-2H3;
InChIKeyDAXJIOMLLFZEKZ-UHFFFAOYSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-ol;phenol;ytterbium?
The IUPAC name of 3-methylbutan-1-ol;phenol;ytterbium (CID 139987500) is 3-methylbutan-1-ol;phenol;ytterbium.
What is the SMILES notation for 3-methylbutan-1-ol;phenol;ytterbium?
The canonical SMILES for 3-methylbutan-1-ol;phenol;ytterbium is CC(C)CCO.Oc1ccccc1.[Yb].
What is the InChIKey of 3-methylbutan-1-ol;phenol;ytterbium?
The InChIKey is DAXJIOMLLFZEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H12O.Yb/c7-6-4-2-1-3-5-6;1-5(2)3-4-6;/h1-5,7H;5-6H,3-4H2,1-2H3;.
What are the key properties of 3-methylbutan-1-ol;phenol;ytterbium?
3-methylbutan-1-ol;phenol;ytterbium has a molecular weight of 355.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-ol;phenol;ytterbium is sourced from PubChem (CID 139987500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).