CID 20977013

C20H39Al — CID 20977013

IUPAC—
SMILESCCCCCCC([Al])=C(CCCCCC)CCCCCC
InChIInChI=1S/C20H39.Al/c1-4-7-10-13-16-19-20(17-14-11-8-5-2)18-15-12-9-6-3;/h4-18H2,1-3H3;
InChIKeyHHGPEMYTGAVCRG-UHFFFAOYSA-N
MW306.51 g/mol
LogP7.32
Rot. Bonds15

About CID 20977013

CID 20977013 (PubChem CID 20977013) has the molecular formula C20H39Al and a molecular weight of 306.51 g/mol.

Molecular Properties

Compound NameCID 20977013
PubChem CID20977013
Molecular FormulaC20H39Al
Molecular Weight306.51 g/mol
Exact Mass306.29
IUPAC Name—
SMILESCCCCCCC([Al])=C(CCCCCC)CCCCCC
InChIInChI=1S/C20H39.Al/c1-4-7-10-13-16-19-20(17-14-11-8-5-2)18-15-12-9-6-3;/h4-18H2,1-3H3;
InChIKeyHHGPEMYTGAVCRG-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.51
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20977013?
The IUPAC name of CID 20977013 (CID 20977013) is not available.
What is the SMILES notation for CID 20977013?
The canonical SMILES for CID 20977013 is CCCCCCC([Al])=C(CCCCCC)CCCCCC.
What is the InChIKey of CID 20977013?
The InChIKey is HHGPEMYTGAVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39.Al/c1-4-7-10-13-16-19-20(17-14-11-8-5-2)18-15-12-9-6-3;/h4-18H2,1-3H3;.
What are the key properties of CID 20977013?
CID 20977013 has a molecular weight of 306.51 g/mol, XLogP of 7.32, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20977013 is sourced from PubChem (CID 20977013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).