CID 87238691

C20H41AlO4 — CID 87238691

IUPAC—
SMILESCC(C)C[Al].CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O
InChIInChI=1S/2C8H16O2.C4H9.Al/c2*1-3-5-6-7(4-2)8(9)10;1-4(2)3;/h2*7H,3-6H2,1-2H3,(H,9,10);4H,1H2,2-3H3;
InChIKeyHCNOHIOUQRNABO-UHFFFAOYSA-N
MW372.53 g/mol
LogP5.80
Rot. Bonds11

About CID 87238691

CID 87238691 (PubChem CID 87238691) has the molecular formula C20H41AlO4 and a molecular weight of 372.53 g/mol.

Molecular Properties

Compound NameCID 87238691
PubChem CID87238691
Molecular FormulaC20H41AlO4
Molecular Weight372.53 g/mol
Exact Mass372.28
IUPAC Name—
SMILESCC(C)C[Al].CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O
InChIInChI=1S/2C8H16O2.C4H9.Al/c2*1-3-5-6-7(4-2)8(9)10;1-4(2)3;/h2*7H,3-6H2,1-2H3,(H,9,10);4H,1H2,2-3H3;
InChIKeyHCNOHIOUQRNABO-UHFFFAOYSA-N
XLogP5.80
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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tetrakis(2-ethylhexanoic acid);hafnium
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copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese
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bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
CID 173133127
2-ethylhexanoic acid;hexadecane
CID 174408772
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
CID 173015754
CID 173015754

Frequently Asked Questions

What is the IUPAC name of CID 87238691?
The IUPAC name of CID 87238691 (CID 87238691) is not available.
What is the SMILES notation for CID 87238691?
The canonical SMILES for CID 87238691 is CC(C)C[Al].CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.
What is the InChIKey of CID 87238691?
The InChIKey is HCNOHIOUQRNABO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2.C4H9.Al/c2*1-3-5-6-7(4-2)8(9)10;1-4(2)3;/h2*7H,3-6H2,1-2H3,(H,9,10);4H,1H2,2-3H3;.
What are the key properties of CID 87238691?
CID 87238691 has a molecular weight of 372.53 g/mol, XLogP of 5.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87238691 is sourced from PubChem (CID 87238691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).