CID 140728920

C11H8AlO — CID 140728920

IUPAC—
SMILESCc1ccc2cccc3c2c1[Al]O3
InChIInChI=1S/C11H9O.Al/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;/h2-6,12H,1H3;/q;+1/p-1
InChIKeyFBGVPXOLSPKPHW-UHFFFAOYSA-M
MW183.17 g/mol
LogP1.79
Rot. Bonds

About CID 140728920

CID 140728920 (PubChem CID 140728920) has the molecular formula C11H8AlO and a molecular weight of 183.17 g/mol.

Molecular Properties

Compound NameCID 140728920
PubChem CID140728920
Molecular FormulaC11H8AlO
Molecular Weight183.17 g/mol
Exact Mass183.04
IUPAC Name—
SMILESCc1ccc2cccc3c2c1[Al]O3
InChIInChI=1S/C11H9O.Al/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;/h2-6,12H,1H3;/q;+1/p-1
InChIKeyFBGVPXOLSPKPHW-UHFFFAOYSA-M
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4,5-dimethylphenanthrene;ethane
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1,8-dimethylnaphthalene;ethane
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4,20,25,41-tetramethyl-12,33-diphosphatridecacyclo[21.19.1.12,12.13,7.113,17.124,28.134,38.033,43.011,48.021,46.022,47.032,45.042,44]octatetraconta-1,3,5,7(48),8,10,13,15,17(46),18,20,22(47),23(43),24,26,28(45),29,31,34,36,38(44),39,41-tricosaene
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pyrene;dihydrobromide
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pyrene;zirconium
CID 175873743
4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene
CID 154735160
3,4-dimethylperylene
CID 20583839
4,12-dimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene
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pyrene;1,3-xylene
CID 174892551
6-tert-butyl-3,16-dimethyl-8-oxa-3-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
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Frequently Asked Questions

What is the IUPAC name of CID 140728920?
The IUPAC name of CID 140728920 (CID 140728920) is not available.
What is the SMILES notation for CID 140728920?
The canonical SMILES for CID 140728920 is Cc1ccc2cccc3c2c1[Al]O3.
What is the InChIKey of CID 140728920?
The InChIKey is FBGVPXOLSPKPHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9O.Al/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;/h2-6,12H,1H3;/q;+1/p-1.
What are the key properties of CID 140728920?
CID 140728920 has a molecular weight of 183.17 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140728920 is sourced from PubChem (CID 140728920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).