CID 173481307

C11H21B — CID 173481307

IUPAC—
SMILES[B]C(C)C(=C)C(C)CCC(C)C
InChIInChI=1S/C11H21B/c1-8(2)6-7-9(3)10(4)11(5)12/h8-9,11H,4,6-7H2,1-3,5H3
InChIKeyDMPYXPKXNHCHOU-UHFFFAOYSA-N
MW164.10 g/mol
LogP3.59
Rot. Bonds5

About CID 173481307

CID 173481307 (PubChem CID 173481307) has the molecular formula C11H21B and a molecular weight of 164.10 g/mol.

Molecular Properties

Compound NameCID 173481307
PubChem CID173481307
Molecular FormulaC11H21B
Molecular Weight164.10 g/mol
Exact Mass164.17
IUPAC Name—
SMILES[B]C(C)C(=C)C(C)CCC(C)C
InChIInChI=1S/C11H21B/c1-8(2)6-7-9(3)10(4)11(5)12/h8-9,11H,4,6-7H2,1-3,5H3
InChIKeyDMPYXPKXNHCHOU-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 53.59
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'}

Analyze CID 173481307 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 173481307?
The IUPAC name of CID 173481307 (CID 173481307) is not available.
What is the SMILES notation for CID 173481307?
The canonical SMILES for CID 173481307 is [B]C(C)C(=C)C(C)CCC(C)C.
What is the InChIKey of CID 173481307?
The InChIKey is DMPYXPKXNHCHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21B/c1-8(2)6-7-9(3)10(4)11(5)12/h8-9,11H,4,6-7H2,1-3,5H3.
What are the key properties of CID 173481307?
CID 173481307 has a molecular weight of 164.10 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173481307 is sourced from PubChem (CID 173481307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).