CID 88829584

C40H73AlO2 — CID 88829584

IUPAC—
SMILESCC[Al].OC(C1CCCCC1)(C1CCCCC1)C1CCCCC1.OC(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C19H34O.C2H5.Al/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h2*16-18,20H,1-15H2;1H2,2H3;
InChIKeyBAMOMGHSEDDCQF-UHFFFAOYSA-N
MW613.00 g/mol
LogP11.51
Rot. Bonds6

About CID 88829584

CID 88829584 (PubChem CID 88829584) has the molecular formula C40H73AlO2 and a molecular weight of 613.00 g/mol.

Molecular Properties

Compound NameCID 88829584
PubChem CID88829584
Molecular FormulaC40H73AlO2
Molecular Weight613.00 g/mol
Exact Mass612.54
IUPAC Name—
SMILESCC[Al].OC(C1CCCCC1)(C1CCCCC1)C1CCCCC1.OC(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C19H34O.C2H5.Al/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h2*16-18,20H,1-15H2;1H2,2H3;
InChIKeyBAMOMGHSEDDCQF-UHFFFAOYSA-N
XLogP11.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.00
LogP ≤ 511.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 88829584?
The IUPAC name of CID 88829584 (CID 88829584) is not available.
What is the SMILES notation for CID 88829584?
The canonical SMILES for CID 88829584 is CC[Al].OC(C1CCCCC1)(C1CCCCC1)C1CCCCC1.OC(C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of CID 88829584?
The InChIKey is BAMOMGHSEDDCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H34O.C2H5.Al/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h2*16-18,20H,1-15H2;1H2,2H3;.
What are the key properties of CID 88829584?
CID 88829584 has a molecular weight of 613.00 g/mol, XLogP of 11.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88829584 is sourced from PubChem (CID 88829584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).