CID 173449434

C16H35BCl — CID 173449434

IUPAC—
SMILESCCCCCCCC[B]CCCCCCCC.Cl
InChIInChI=1S/C16H34B.ClH/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;1H
InChIKeyLCCQNFRVBYQFML-UHFFFAOYSA-N
MW273.72 g/mol
LogP6.67
Rot. Bonds14

About CID 173449434

CID 173449434 (PubChem CID 173449434) has the molecular formula C16H35BCl and a molecular weight of 273.72 g/mol.

Molecular Properties

Compound NameCID 173449434
PubChem CID173449434
Molecular FormulaC16H35BCl
Molecular Weight273.72 g/mol
Exact Mass273.25
IUPAC Name—
SMILESCCCCCCCC[B]CCCCCCCC.Cl
InChIInChI=1S/C16H34B.ClH/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;1H
InChIKeyLCCQNFRVBYQFML-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.72
LogP ≤ 56.67
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 173449370
CID 173449370
Di-pentylborane
CID 13258648
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
nonadecane;hydrochloride
CID 172821128
pentacosane;hydrochloride
CID 172714496
dodecane;phosphane;dihydrochloride
CID 173449681
heptane;phosphane;trihydrochloride
CID 175501735
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119
methane;octane;dihydrochloride
CID 174397937

Frequently Asked Questions

What is the IUPAC name of CID 173449434?
The IUPAC name of CID 173449434 (CID 173449434) is not available.
What is the SMILES notation for CID 173449434?
The canonical SMILES for CID 173449434 is CCCCCCCC[B]CCCCCCCC.Cl.
What is the InChIKey of CID 173449434?
The InChIKey is LCCQNFRVBYQFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34B.ClH/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;1H.
What are the key properties of CID 173449434?
CID 173449434 has a molecular weight of 273.72 g/mol, XLogP of 6.67, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173449434 is sourced from PubChem (CID 173449434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).