CID 140700178

C9H11Al — CID 140700178

IUPAC—
SMILESCc1ccccc1CC[Al]
InChIInChI=1S/C9H11.Al/c1-3-9-7-5-4-6-8(9)2;/h4-7H,1,3H2,2H3;
InChIKeyIVRFDCZCFLEFTR-UHFFFAOYSA-N
MW146.17 g/mol
LogP2.12
Rot. Bonds2

About CID 140700178

CID 140700178 (PubChem CID 140700178) has the molecular formula C9H11Al and a molecular weight of 146.17 g/mol.

Molecular Properties

Compound NameCID 140700178
PubChem CID140700178
Molecular FormulaC9H11Al
Molecular Weight146.17 g/mol
Exact Mass146.07
IUPAC Name—
SMILESCc1ccccc1CC[Al]
InChIInChI=1S/C9H11.Al/c1-3-9-7-5-4-6-8(9)2;/h4-7H,1,3H2,2H3;
InChIKeyIVRFDCZCFLEFTR-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 140700178?
The IUPAC name of CID 140700178 (CID 140700178) is not available.
What is the SMILES notation for CID 140700178?
The canonical SMILES for CID 140700178 is Cc1ccccc1CC[Al].
What is the InChIKey of CID 140700178?
The InChIKey is IVRFDCZCFLEFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.Al/c1-3-9-7-5-4-6-8(9)2;/h4-7H,1,3H2,2H3;.
What are the key properties of CID 140700178?
CID 140700178 has a molecular weight of 146.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140700178 is sourced from PubChem (CID 140700178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).