2-methanidylpropan-2-ol

C4H9O- — CID 123980992

IUPAC2-methanidylpropan-2-ol
SMILES[CH2-]C(C)(C)O
InChIInChI=1S/C4H9O/c1-4(2,3)5/h5H,1H2,2-3H3/q-1
InChIKeyRXHPIOKUQXMKRY-UHFFFAOYSA-N
MW73.11 g/mol
LogP0.59
Rot. Bonds

About 2-methanidylpropan-2-ol

2-methanidylpropan-2-ol (PubChem CID 123980992) has the molecular formula C4H9O- and a molecular weight of 73.11 g/mol. Its IUPAC name is 2-methanidylpropan-2-ol.

Molecular Properties

Compound Name2-methanidylpropan-2-ol
PubChem CID123980992
Molecular FormulaC4H9O-
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name2-methanidylpropan-2-ol
SMILES[CH2-]C(C)(C)O
InChIInChI=1S/C4H9O/c1-4(2,3)5/h5H,1H2,2-3H3/q-1
InChIKeyRXHPIOKUQXMKRY-UHFFFAOYSA-N
XLogP0.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

methane;2-methylpropan-2-ol
CID 157161859
lithium 2-methanidyl-2-methylpropane
CID 10898631
2-methanidyl-2-methylpropane;palladium
CID 163183764
ethane-1,1,1-triol;hydrochloride
CID 21272946
2-methylpropan-2-ol;molybdenum
CID 174435313
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;neodymium
CID 154348927
gallane;tris(2-methylpropan-2-ol)
CID 175569744
lithium 2-methylpropan-2-ol
CID 21120036
manganese;2-methanidyl-2-methylpropane
CID 15914338
dilithium;2-methanidyl-2-methylpropane
CID 14120101

Frequently Asked Questions

What is the IUPAC name of 2-methanidylpropan-2-ol?
The IUPAC name of 2-methanidylpropan-2-ol (CID 123980992) is 2-methanidylpropan-2-ol.
What is the SMILES notation for 2-methanidylpropan-2-ol?
The canonical SMILES for 2-methanidylpropan-2-ol is [CH2-]C(C)(C)O.
What is the InChIKey of 2-methanidylpropan-2-ol?
The InChIKey is RXHPIOKUQXMKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-4(2,3)5/h5H,1H2,2-3H3/q-1.
What are the key properties of 2-methanidylpropan-2-ol?
2-methanidylpropan-2-ol has a molecular weight of 73.11 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylpropan-2-ol is sourced from PubChem (CID 123980992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).