CID 135048899

C7H14BP- — CID 135048899

IUPAC—
SMILES[B-]P(CC=C)C(C)(C)C
InChIInChI=1S/C7H14BP/c1-5-6-9(8)7(2,3)4/h5H,1,6H2,2-4H3/q-1
InChIKeyBTCKVPZNNSYZKD-UHFFFAOYSA-N
MW139.97 g/mol
LogP2.54
Rot. Bonds2

About CID 135048899

CID 135048899 (PubChem CID 135048899) has the molecular formula C7H14BP- and a molecular weight of 139.97 g/mol.

Molecular Properties

Compound NameCID 135048899
PubChem CID135048899
Molecular FormulaC7H14BP-
Molecular Weight139.97 g/mol
Exact Mass140.09
IUPAC Name—
SMILES[B-]P(CC=C)C(C)(C)C
InChIInChI=1S/C7H14BP/c1-5-6-9(8)7(2,3)4/h5H,1,6H2,2-4H3/q-1
InChIKeyBTCKVPZNNSYZKD-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.97
LogP ≤ 52.54
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 135048899?
The IUPAC name of CID 135048899 (CID 135048899) is not available.
What is the SMILES notation for CID 135048899?
The canonical SMILES for CID 135048899 is [B-]P(CC=C)C(C)(C)C.
What is the InChIKey of CID 135048899?
The InChIKey is BTCKVPZNNSYZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BP/c1-5-6-9(8)7(2,3)4/h5H,1,6H2,2-4H3/q-1.
What are the key properties of CID 135048899?
CID 135048899 has a molecular weight of 139.97 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135048899 is sourced from PubChem (CID 135048899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).