CID 159790875

C20H44AlO — CID 159790875

IUPAC—
SMILESCCCCCCOCCCCCC.CCCC[Al]CCCC
InChIInChI=1S/C12H26O.2C4H9.Al/c1-3-5-7-9-11-13-12-10-8-6-4-2;2*1-3-4-2;/h3-12H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyYAMIEWUPZJFCTC-UHFFFAOYSA-N
MW327.55 g/mol
LogP7.29
Rot. Bonds16

About CID 159790875

CID 159790875 (PubChem CID 159790875) has the molecular formula C20H44AlO and a molecular weight of 327.55 g/mol.

Molecular Properties

Compound NameCID 159790875
PubChem CID159790875
Molecular FormulaC20H44AlO
Molecular Weight327.55 g/mol
Exact Mass327.32
IUPAC Name—
SMILESCCCCCCOCCCCCC.CCCC[Al]CCCC
InChIInChI=1S/C12H26O.2C4H9.Al/c1-3-5-7-9-11-13-12-10-8-6-4-2;2*1-3-4-2;/h3-12H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyYAMIEWUPZJFCTC-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecoxyhexadecane
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1-decoxydocosane
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1-heptoxydocosane
CID 91692957
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CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of CID 159790875?
The IUPAC name of CID 159790875 (CID 159790875) is not available.
What is the SMILES notation for CID 159790875?
The canonical SMILES for CID 159790875 is CCCCCCOCCCCCC.CCCC[Al]CCCC.
What is the InChIKey of CID 159790875?
The InChIKey is YAMIEWUPZJFCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.2C4H9.Al/c1-3-5-7-9-11-13-12-10-8-6-4-2;2*1-3-4-2;/h3-12H2,1-2H3;2*1,3-4H2,2H3;.
What are the key properties of CID 159790875?
CID 159790875 has a molecular weight of 327.55 g/mol, XLogP of 7.29, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159790875 is sourced from PubChem (CID 159790875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).