CID 173478650

C13H27B — CID 173478650

IUPAC—
SMILES[B]C(C)(CCCCC)CCCCCC
InChIInChI=1S/C13H27B/c1-4-6-8-10-12-13(3,14)11-9-7-5-2/h4-12H2,1-3H3
InChIKeyIXDORXMZYYSESQ-UHFFFAOYSA-N
MW194.17 g/mol
LogP4.88
Rot. Bonds9

About CID 173478650

CID 173478650 (PubChem CID 173478650) has the molecular formula C13H27B and a molecular weight of 194.17 g/mol.

Molecular Properties

Compound NameCID 173478650
PubChem CID173478650
Molecular FormulaC13H27B
Molecular Weight194.17 g/mol
Exact Mass194.22
IUPAC Name—
SMILES[B]C(C)(CCCCC)CCCCCC
InChIInChI=1S/C13H27B/c1-4-6-8-10-12-13(3,14)11-9-7-5-2/h4-12H2,1-3H3
InChIKeyIXDORXMZYYSESQ-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 54.88
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 173380418
CID 173380418
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
1,2-bis(2-methylundecan-2-yl)hydrazine
CID 151976473
2,2-dimethylpropane;heptane
CID 144531055
5-butyl-5-methylpentadecane
CID 174700907
azane;2,2-dimethylundecane
CID 172735807
5,5,6,6-tetramethyltridecane
CID 173349107
2,2-dimethylundecane;hydrobromide
CID 172814192
3-tert-butyl-3-(3-tert-butyl-2,2-dimethyldodecan-3-yl)sulfanyl-2,2-dimethyldodecane
CID 141216735
19-hexadecyl-19-nonylnonatriacontane
CID 90913331

Frequently Asked Questions

What is the IUPAC name of CID 173478650?
The IUPAC name of CID 173478650 (CID 173478650) is not available.
What is the SMILES notation for CID 173478650?
The canonical SMILES for CID 173478650 is [B]C(C)(CCCCC)CCCCCC.
What is the InChIKey of CID 173478650?
The InChIKey is IXDORXMZYYSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27B/c1-4-6-8-10-12-13(3,14)11-9-7-5-2/h4-12H2,1-3H3.
What are the key properties of CID 173478650?
CID 173478650 has a molecular weight of 194.17 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173478650 is sourced from PubChem (CID 173478650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).