CID 144671980

C9H17B — CID 144671980

IUPAC—
SMILES[B]C1CCC(C(C)C)CC1
InChIInChI=1S/C9H17B/c1-7(2)8-3-5-9(10)6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyMLVMINQHNGKJPE-UHFFFAOYSA-N
MW136.05 g/mol
LogP2.79
Rot. Bonds1

About CID 144671980

CID 144671980 (PubChem CID 144671980) has the molecular formula C9H17B and a molecular weight of 136.05 g/mol.

Molecular Properties

Compound NameCID 144671980
PubChem CID144671980
Molecular FormulaC9H17B
Molecular Weight136.05 g/mol
Exact Mass136.14
IUPAC Name—
SMILES[B]C1CCC(C(C)C)CC1
InChIInChI=1S/C9H17B/c1-7(2)8-3-5-9(10)6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyMLVMINQHNGKJPE-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.05
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 144671980 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 144671980?
The IUPAC name of CID 144671980 (CID 144671980) is not available.
What is the SMILES notation for CID 144671980?
The canonical SMILES for CID 144671980 is [B]C1CCC(C(C)C)CC1.
What is the InChIKey of CID 144671980?
The InChIKey is MLVMINQHNGKJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17B/c1-7(2)8-3-5-9(10)6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of CID 144671980?
CID 144671980 has a molecular weight of 136.05 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144671980 is sourced from PubChem (CID 144671980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).