CID 16684285

C16H30AlO4 — CID 16684285

IUPAC—
SMILESCCCCC(CC)C(=O)O[Al]OC(=O)C(CC)CCCC
InChIInChI=1S/2C8H16O2.Al/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyAGKNJVUDCVNJSY-UHFFFAOYSA-L
MW313.39 g/mol
LogP4.04
Rot. Bonds12

About CID 16684285

CID 16684285 (PubChem CID 16684285) has the molecular formula C16H30AlO4 and a molecular weight of 313.39 g/mol.

Molecular Properties

Compound NameCID 16684285
PubChem CID16684285
Molecular FormulaC16H30AlO4
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name—
SMILESCCCCC(CC)C(=O)O[Al]OC(=O)C(CC)CCCC
InChIInChI=1S/2C8H16O2.Al/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyAGKNJVUDCVNJSY-UHFFFAOYSA-L
XLogP4.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
trimethylplumbyl 2-ethylhexanoate
CID 16683317
1-hydroxyethyl 2-ethylhexanoate
CID 22112693
pentan-3-yl 2-ethylhexanoate
CID 22213614
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
2,2-dimethylpropanoyl 2-ethylhexanoate
CID 57098053
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750

Frequently Asked Questions

What is the IUPAC name of CID 16684285?
The IUPAC name of CID 16684285 (CID 16684285) is not available.
What is the SMILES notation for CID 16684285?
The canonical SMILES for CID 16684285 is CCCCC(CC)C(=O)O[Al]OC(=O)C(CC)CCCC.
What is the InChIKey of CID 16684285?
The InChIKey is AGKNJVUDCVNJSY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.Al/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2.
What are the key properties of CID 16684285?
CID 16684285 has a molecular weight of 313.39 g/mol, XLogP of 4.04, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16684285 is sourced from PubChem (CID 16684285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).