CID 58612647

C9H18Al — CID 58612647

IUPAC—
SMILESCCCCCCCC1C[Al]1
InChIInChI=1S/C9H18.Al/c1-3-5-7-9-8-6-4-2;/h3H,1,4-9H2,2H3;
InChIKeyMNDOGMNSFUWNBU-UHFFFAOYSA-N
MW153.22 g/mol
LogP3.27
Rot. Bonds6

About CID 58612647

CID 58612647 (PubChem CID 58612647) has the molecular formula C9H18Al and a molecular weight of 153.22 g/mol.

Molecular Properties

Compound NameCID 58612647
PubChem CID58612647
Molecular FormulaC9H18Al
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name—
SMILESCCCCCCCC1C[Al]1
InChIInChI=1S/C9H18.Al/c1-3-5-7-9-8-6-4-2;/h3H,1,4-9H2,2H3;
InChIKeyMNDOGMNSFUWNBU-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 53.27
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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Related Compounds

1,4-dihexylcyclohexane
CID 22947938
1-hexyl-2-undecylcyclopropane
CID 58049498
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1,2-dioctylcyclopropane
CID 21337627
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of CID 58612647?
The IUPAC name of CID 58612647 (CID 58612647) is not available.
What is the SMILES notation for CID 58612647?
The canonical SMILES for CID 58612647 is CCCCCCCC1C[Al]1.
What is the InChIKey of CID 58612647?
The InChIKey is MNDOGMNSFUWNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.Al/c1-3-5-7-9-8-6-4-2;/h3H,1,4-9H2,2H3;.
What are the key properties of CID 58612647?
CID 58612647 has a molecular weight of 153.22 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58612647 is sourced from PubChem (CID 58612647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).