CID 157428380

C11H14AlO — CID 157428380

IUPAC—
SMILESCC(C)(C)c1ccc(C(=O)[AlH])cc1
InChIInChI=1S/C11H13O.Al.H/c1-11(2,3)10-6-4-9(8-12)5-7-10;;/h4-7H,1-3H3;;
InChIKeyRXUDHMXBTFYKRE-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.03
Rot. Bonds1

About CID 157428380

CID 157428380 (PubChem CID 157428380) has the molecular formula C11H14AlO and a molecular weight of 189.21 g/mol.

Molecular Properties

Compound NameCID 157428380
PubChem CID157428380
Molecular FormulaC11H14AlO
Molecular Weight189.21 g/mol
Exact Mass189.09
IUPAC Name—
SMILESCC(C)(C)c1ccc(C(=O)[AlH])cc1
InChIInChI=1S/C11H13O.Al.H/c1-11(2,3)10-6-4-9(8-12)5-7-10;;/h4-7H,1-3H3;;
InChIKeyRXUDHMXBTFYKRE-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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copper 4-tert-butylbenzoic acid
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2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 23377158
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magnesium;4-tert-butylbenzoate;hydroxide
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Frequently Asked Questions

What is the IUPAC name of CID 157428380?
The IUPAC name of CID 157428380 (CID 157428380) is not available.
What is the SMILES notation for CID 157428380?
The canonical SMILES for CID 157428380 is CC(C)(C)c1ccc(C(=O)[AlH])cc1.
What is the InChIKey of CID 157428380?
The InChIKey is RXUDHMXBTFYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O.Al.H/c1-11(2,3)10-6-4-9(8-12)5-7-10;;/h4-7H,1-3H3;;.
What are the key properties of CID 157428380?
CID 157428380 has a molecular weight of 189.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157428380 is sourced from PubChem (CID 157428380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).