CID 159699124

C7H16B — CID 159699124

IUPAC—
SMILESCC[B]CC(C)(C)C
InChIInChI=1S/C7H16B/c1-5-8-6-7(2,3)4/h5-6H2,1-4H3
InChIKeyNZMPAUGQROBUAA-UHFFFAOYSA-N
MW111.02 g/mol
LogP2.59
Rot. Bonds2

About CID 159699124

CID 159699124 (PubChem CID 159699124) has the molecular formula C7H16B and a molecular weight of 111.02 g/mol.

Molecular Properties

Compound NameCID 159699124
PubChem CID159699124
Molecular FormulaC7H16B
Molecular Weight111.02 g/mol
Exact Mass111.13
IUPAC Name—
SMILESCC[B]CC(C)(C)C
InChIInChI=1S/C7H16B/c1-5-8-6-7(2,3)4/h5-6H2,1-4H3
InChIKeyNZMPAUGQROBUAA-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.02
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159699124?
The IUPAC name of CID 159699124 (CID 159699124) is not available.
What is the SMILES notation for CID 159699124?
The canonical SMILES for CID 159699124 is CC[B]CC(C)(C)C.
What is the InChIKey of CID 159699124?
The InChIKey is NZMPAUGQROBUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16B/c1-5-8-6-7(2,3)4/h5-6H2,1-4H3.
What are the key properties of CID 159699124?
CID 159699124 has a molecular weight of 111.02 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159699124 is sourced from PubChem (CID 159699124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).