CID 168917901

C9H18BI — CID 168917901

IUPAC—
SMILES[B]C(C)(I)C(C)CCCCC
InChIInChI=1S/C9H18BI/c1-4-5-6-7-8(2)9(3,10)11/h8H,4-7H2,1-3H3
InChIKeyYWKMVRQUESIZDI-UHFFFAOYSA-N
MW263.96 g/mol
LogP3.52
Rot. Bonds5

About CID 168917901

CID 168917901 (PubChem CID 168917901) has the molecular formula C9H18BI and a molecular weight of 263.96 g/mol.

Molecular Properties

Compound NameCID 168917901
PubChem CID168917901
Molecular FormulaC9H18BI
Molecular Weight263.96 g/mol
Exact Mass264.05
IUPAC Name—
SMILES[B]C(C)(I)C(C)CCCCC
InChIInChI=1S/C9H18BI/c1-4-5-6-7-8(2)9(3,10)11/h8H,4-7H2,1-3H3
InChIKeyYWKMVRQUESIZDI-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.96
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-2,3-dimethylnonane
CID 157257011
2,2,3-trimethylundecane
CID 21285055
2,3-dimethyltridecane-2-thiol
CID 175066611
2-chloro-2,3-dimethyltridecane
CID 87222996
2,3-dimethylhexadecan-2-amine
CID 87479269
2-chloro-2,3-dimethylnonane
CID 87897655
2,3,3,4-tetramethylnonadecane
CID 174953704
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
2,3-dimethylnonan-2-ylphosphane;hydroiodide
CID 173158055

Frequently Asked Questions

What is the IUPAC name of CID 168917901?
The IUPAC name of CID 168917901 (CID 168917901) is not available.
What is the SMILES notation for CID 168917901?
The canonical SMILES for CID 168917901 is [B]C(C)(I)C(C)CCCCC.
What is the InChIKey of CID 168917901?
The InChIKey is YWKMVRQUESIZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BI/c1-4-5-6-7-8(2)9(3,10)11/h8H,4-7H2,1-3H3.
What are the key properties of CID 168917901?
CID 168917901 has a molecular weight of 263.96 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168917901 is sourced from PubChem (CID 168917901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).