CID 172861470

C4H13KOP — CID 172861470

IUPAC—
SMILESCC(C)(C)O.P.[K]
InChIInChI=1S/C4H10O.K.H3P/c1-4(2,3)5;;/h5H,1-3H3;;1H3
InChIKeyZKIJSNGJQRNLOA-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.45
Rot. Bonds

About CID 172861470

CID 172861470 (PubChem CID 172861470) has the molecular formula C4H13KOP and a molecular weight of 147.22 g/mol.

Molecular Properties

Compound NameCID 172861470
PubChem CID172861470
Molecular FormulaC4H13KOP
Molecular Weight147.22 g/mol
Exact Mass147.03
IUPAC Name—
SMILESCC(C)(C)O.P.[K]
InChIInChI=1S/C4H10O.K.H3P/c1-4(2,3)5;;/h5H,1-3H3;;1H3
InChIKeyZKIJSNGJQRNLOA-UHFFFAOYSA-N
XLogP0.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 172861470 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;2-methylpropan-2-ol
CID 157161859
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
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
alumane;2-methylpropan-2-ol;hydrochloride
CID 174748525
azane;2-methylpropan-2-ol;hydrobromide
CID 173305013
carbanide;2-methylpropan-2-ol;tungsten
CID 58800760
CID 88634394
CID 88634394
potassium;carbanide;2-methylpropan-2-ol
CID 87884731

Frequently Asked Questions

What is the IUPAC name of CID 172861470?
The IUPAC name of CID 172861470 (CID 172861470) is not available.
What is the SMILES notation for CID 172861470?
The canonical SMILES for CID 172861470 is CC(C)(C)O.P.[K].
What is the InChIKey of CID 172861470?
The InChIKey is ZKIJSNGJQRNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.K.H3P/c1-4(2,3)5;;/h5H,1-3H3;;1H3.
What are the key properties of CID 172861470?
CID 172861470 has a molecular weight of 147.22 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172861470 is sourced from PubChem (CID 172861470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).