CID 173034653

C16H32Al — CID 173034653

IUPAC—
SMILESC=CCCCC=CC.CC(C)C[Al]CC(C)C
InChIInChI=1S/C8H14.2C4H9.Al/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h3-4,6H,1,5,7-8H2,2H3;2*4H,1H2,2-3H3;
InChIKeyHFRUUTVJHQGJNN-UHFFFAOYSA-N
MW251.41 g/mol
LogP5.76
Rot. Bonds8

About CID 173034653

CID 173034653 (PubChem CID 173034653) has the molecular formula C16H32Al and a molecular weight of 251.41 g/mol.

Molecular Properties

Compound NameCID 173034653
PubChem CID173034653
Molecular FormulaC16H32Al
Molecular Weight251.41 g/mol
Exact Mass251.23
IUPAC Name—
SMILESC=CCCCC=CC.CC(C)C[Al]CC(C)C
InChIInChI=1S/C8H14.2C4H9.Al/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h3-4,6H,1,5,7-8H2,2H3;2*4H,1H2,2-3H3;
InChIKeyHFRUUTVJHQGJNN-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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dodeca-1,4,10-triene
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ethane;(5E)-5-propan-2-ylhepta-1,5-diene
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(E)-11-methyldodec-2-ene
CID 134687647
trideca-1,4,11-triene
CID 172759150
4-bromodeca-1,8-diene
CID 150882644
(E)-2-methylnon-7-en-3-one
CID 88707157
(7E)-4-methylnona-1,7-diene
CID 173060914
but-3-en-1-ol;(E)-pent-3-en-1-ol
CID 88803615
25-methylhexacos-1-ene
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Frequently Asked Questions

What is the IUPAC name of CID 173034653?
The IUPAC name of CID 173034653 (CID 173034653) is not available.
What is the SMILES notation for CID 173034653?
The canonical SMILES for CID 173034653 is C=CCCCC=CC.CC(C)C[Al]CC(C)C.
What is the InChIKey of CID 173034653?
The InChIKey is HFRUUTVJHQGJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.2C4H9.Al/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h3-4,6H,1,5,7-8H2,2H3;2*4H,1H2,2-3H3;.
What are the key properties of CID 173034653?
CID 173034653 has a molecular weight of 251.41 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173034653 is sourced from PubChem (CID 173034653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).