2-methylpentan-1-olate

C6H13O- — CID 18370017

IUPAC2-methylpentan-1-olate
SMILESCCCC(C)C[O-]
InChIInChI=1S/C6H13O/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3/q-1
InChIKeyDOBWUHYXAKARMK-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.78
Rot. Bonds3

About 2-methylpentan-1-olate

2-methylpentan-1-olate (PubChem CID 18370017) has the molecular formula C6H13O- and a molecular weight of 101.17 g/mol. Its IUPAC name is 2-methylpentan-1-olate.

Molecular Properties

Compound Name2-methylpentan-1-olate
PubChem CID18370017
Molecular FormulaC6H13O-
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Name2-methylpentan-1-olate
SMILESCCCC(C)C[O-]
InChIInChI=1S/C6H13O/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3/q-1
InChIKeyDOBWUHYXAKARMK-UHFFFAOYSA-N
XLogP0.78
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-1-olate?
The IUPAC name of 2-methylpentan-1-olate (CID 18370017) is 2-methylpentan-1-olate.
What is the SMILES notation for 2-methylpentan-1-olate?
The canonical SMILES for 2-methylpentan-1-olate is CCCC(C)C[O-].
What is the InChIKey of 2-methylpentan-1-olate?
The InChIKey is DOBWUHYXAKARMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3/q-1.
What are the key properties of 2-methylpentan-1-olate?
2-methylpentan-1-olate has a molecular weight of 101.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-1-olate is sourced from PubChem (CID 18370017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).