CID 22958339

C7H14B — CID 22958339

IUPAC—
SMILESC[B]C/C=C/C(C)C
InChIInChI=1S/C7H14B/c1-7(2)5-4-6-8-3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyXMPNFTBQPIGWMT-SNAWJCMRSA-N
MW109.00 g/mol
LogP2.37
Rot. Bonds3

About CID 22958339

CID 22958339 (PubChem CID 22958339) has the molecular formula C7H14B and a molecular weight of 109.00 g/mol.

Molecular Properties

Compound NameCID 22958339
PubChem CID22958339
Molecular FormulaC7H14B
Molecular Weight109.00 g/mol
Exact Mass109.12
IUPAC Name—
SMILESC[B]C/C=C/C(C)C
InChIInChI=1S/C7H14B/c1-7(2)5-4-6-8-3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyXMPNFTBQPIGWMT-SNAWJCMRSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.00
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22958339?
The IUPAC name of CID 22958339 (CID 22958339) is not available.
What is the SMILES notation for CID 22958339?
The canonical SMILES for CID 22958339 is C[B]C/C=C/C(C)C.
What is the InChIKey of CID 22958339?
The InChIKey is XMPNFTBQPIGWMT-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14B/c1-7(2)5-4-6-8-3/h4-5,7H,6H2,1-3H3/b5-4+.
What are the key properties of CID 22958339?
CID 22958339 has a molecular weight of 109.00 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22958339 is sourced from PubChem (CID 22958339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).