CID 159536102

C9H22B — CID 159536102

IUPAC—
SMILESCCCC.CCCCC.[B]
InChIInChI=1S/C5H12.C4H10.B/c1-3-5-4-2;1-3-4-2;/h3-5H2,1-2H3;3-4H2,1-2H3;
InChIKeySXJPRHNFRPYCPY-UHFFFAOYSA-N
MW141.09 g/mol
LogP3.62
Rot. Bonds3

About CID 159536102

CID 159536102 (PubChem CID 159536102) has the molecular formula C9H22B and a molecular weight of 141.09 g/mol.

Molecular Properties

Compound NameCID 159536102
PubChem CID159536102
Molecular FormulaC9H22B
Molecular Weight141.09 g/mol
Exact Mass141.18
IUPAC Name—
SMILESCCCC.CCCCC.[B]
InChIInChI=1S/C5H12.C4H10.B/c1-3-5-4-2;1-3-4-2;/h3-5H2,1-2H3;3-4H2,1-2H3;
InChIKeySXJPRHNFRPYCPY-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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pentane;propane
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Frequently Asked Questions

What is the IUPAC name of CID 159536102?
The IUPAC name of CID 159536102 (CID 159536102) is not available.
What is the SMILES notation for CID 159536102?
The canonical SMILES for CID 159536102 is CCCC.CCCCC.[B].
What is the InChIKey of CID 159536102?
The InChIKey is SXJPRHNFRPYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10.B/c1-3-5-4-2;1-3-4-2;/h3-5H2,1-2H3;3-4H2,1-2H3;.
What are the key properties of CID 159536102?
CID 159536102 has a molecular weight of 141.09 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159536102 is sourced from PubChem (CID 159536102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).