CID 173486870

C11H23B — CID 173486870

IUPAC—
SMILES[B]C(CCCCCCC)C(C)C
InChIInChI=1S/C11H23B/c1-4-5-6-7-8-9-11(12)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyJHASZPWQGPGCRB-UHFFFAOYSA-N
MW166.12 g/mol
LogP3.96
Rot. Bonds7

About CID 173486870

CID 173486870 (PubChem CID 173486870) has the molecular formula C11H23B and a molecular weight of 166.12 g/mol.

Molecular Properties

Compound NameCID 173486870
PubChem CID173486870
Molecular FormulaC11H23B
Molecular Weight166.12 g/mol
Exact Mass166.19
IUPAC Name—
SMILES[B]C(CCCCCCC)C(C)C
InChIInChI=1S/C11H23B/c1-4-5-6-7-8-9-11(12)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyJHASZPWQGPGCRB-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-propan-2-yltetradecane
CID 154298453
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
2,3-dimethylnonacosane
CID 71331945
8,9-dimethylhexacosane
CID 160651612
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
2-methyloctacosane
CID 519147
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274

Frequently Asked Questions

What is the IUPAC name of CID 173486870?
The IUPAC name of CID 173486870 (CID 173486870) is not available.
What is the SMILES notation for CID 173486870?
The canonical SMILES for CID 173486870 is [B]C(CCCCCCC)C(C)C.
What is the InChIKey of CID 173486870?
The InChIKey is JHASZPWQGPGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23B/c1-4-5-6-7-8-9-11(12)10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of CID 173486870?
CID 173486870 has a molecular weight of 166.12 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173486870 is sourced from PubChem (CID 173486870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).