CID 10937792

C18H35BSn- — CID 10937792

IUPAC—
SMILESCCCC#C[B-](CC)(CC)/C(CC)=C(/CCC)[Sn](C)C
InChIInChI=1S/C16H29B.2CH3.Sn/c1-6-11-13-15-17(9-4,10-5)16(8-3)14-12-7-2;;;/h6-12H2,1-5H3;2*1H3;/q-1;;;
InChIKeyJJRBYBVKEZHBJE-UHFFFAOYSA-N
MW381.00 g/mol
LogP6.16
Rot. Bonds8

About CID 10937792

CID 10937792 (PubChem CID 10937792) has the molecular formula C18H35BSn- and a molecular weight of 381.00 g/mol.

Molecular Properties

Compound NameCID 10937792
PubChem CID10937792
Molecular FormulaC18H35BSn-
Molecular Weight381.00 g/mol
Exact Mass382.19
IUPAC Name—
SMILESCCCC#C[B-](CC)(CC)/C(CC)=C(/CCC)[Sn](C)C
InChIInChI=1S/C16H29B.2CH3.Sn/c1-6-11-13-15-17(9-4,10-5)16(8-3)14-12-7-2;;;/h6-12H2,1-5H3;2*1H3;/q-1;;;
InChIKeyJJRBYBVKEZHBJE-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.00
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10937792?
The IUPAC name of CID 10937792 (CID 10937792) is not available.
What is the SMILES notation for CID 10937792?
The canonical SMILES for CID 10937792 is CCCC#C[B-](CC)(CC)/C(CC)=C(/CCC)[Sn](C)C.
What is the InChIKey of CID 10937792?
The InChIKey is JJRBYBVKEZHBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29B.2CH3.Sn/c1-6-11-13-15-17(9-4,10-5)16(8-3)14-12-7-2;;;/h6-12H2,1-5H3;2*1H3;/q-1;;;.
What are the key properties of CID 10937792?
CID 10937792 has a molecular weight of 381.00 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10937792 is sourced from PubChem (CID 10937792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).