CID 158875389

C10H18GaO3 — CID 158875389

IUPAC—
SMILESCOC(C)C(=CC(=O)C(C)(C)C)O[GaH]
InChIInChI=1S/C10H18O3.Ga.H/c1-7(13-5)8(11)6-9(12)10(2,3)4;;/h6-7,11H,1-5H3;;/q;+1;/p-1
InChIKeyQTMGVKLAAMQNIK-UHFFFAOYSA-M
MW255.97 g/mol
LogP1.35
Rot. Bonds4

About CID 158875389

CID 158875389 (PubChem CID 158875389) has the molecular formula C10H18GaO3 and a molecular weight of 255.97 g/mol.

Molecular Properties

Compound NameCID 158875389
PubChem CID158875389
Molecular FormulaC10H18GaO3
Molecular Weight255.97 g/mol
Exact Mass255.05
IUPAC Name—
SMILESCOC(C)C(=CC(=O)C(C)(C)C)O[GaH]
InChIInChI=1S/C10H18O3.Ga.H/c1-7(13-5)8(11)6-9(12)10(2,3)4;;/h6-7,11H,1-5H3;;/q;+1;/p-1
InChIKeyQTMGVKLAAMQNIK-UHFFFAOYSA-M
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.97
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158875389?
The IUPAC name of CID 158875389 (CID 158875389) is not available.
What is the SMILES notation for CID 158875389?
The canonical SMILES for CID 158875389 is COC(C)C(=CC(=O)C(C)(C)C)O[GaH].
What is the InChIKey of CID 158875389?
The InChIKey is QTMGVKLAAMQNIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18O3.Ga.H/c1-7(13-5)8(11)6-9(12)10(2,3)4;;/h6-7,11H,1-5H3;;/q;+1;/p-1.
What are the key properties of CID 158875389?
CID 158875389 has a molecular weight of 255.97 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158875389 is sourced from PubChem (CID 158875389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).