CID 173380418

C11H23B — CID 173380418

IUPAC—
SMILES[B]C(C)(CCC)CCCCCC
InChIInChI=1S/C11H23B/c1-4-6-7-8-10-11(3,12)9-5-2/h4-10H2,1-3H3
InChIKeyYWBMZNMEIOUZQW-UHFFFAOYSA-N
MW166.12 g/mol
LogP4.10
Rot. Bonds7

About CID 173380418

CID 173380418 (PubChem CID 173380418) has the molecular formula C11H23B and a molecular weight of 166.12 g/mol.

Molecular Properties

Compound NameCID 173380418
PubChem CID173380418
Molecular FormulaC11H23B
Molecular Weight166.12 g/mol
Exact Mass166.19
IUPAC Name—
SMILES[B]C(C)(CCC)CCCCCC
InChIInChI=1S/C11H23B/c1-4-6-7-8-10-11(3,12)9-5-2/h4-10H2,1-3H3
InChIKeyYWBMZNMEIOUZQW-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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

CID 173478650
CID 173478650
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2-methyltricosan-2-ylazanium chloride
CID 22269541
1,2-bis(2-methylundecan-2-yl)hydrazine
CID 151976473
CID 173498063
CID 173498063
2,2-dimethylpropane;heptane
CID 144531055
2,2-dimethylundecane;hydrobromide
CID 172814192
5-butyl-5-methylpentadecane
CID 174700907
azane;2,2-dimethylundecane
CID 172735807
4-methyl-4-propylnonane
CID 54241684

Frequently Asked Questions

What is the IUPAC name of CID 173380418?
The IUPAC name of CID 173380418 (CID 173380418) is not available.
What is the SMILES notation for CID 173380418?
The canonical SMILES for CID 173380418 is [B]C(C)(CCC)CCCCCC.
What is the InChIKey of CID 173380418?
The InChIKey is YWBMZNMEIOUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23B/c1-4-6-7-8-10-11(3,12)9-5-2/h4-10H2,1-3H3.
What are the key properties of CID 173380418?
CID 173380418 has a molecular weight of 166.12 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173380418 is sourced from PubChem (CID 173380418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).