CID 163785890

C11H18B — CID 163785890

IUPAC—
SMILESCC[B]C1=CCC(CCCC)=C1
InChIInChI=1S/C11H18B/c1-3-5-6-10-7-8-11(9-10)12-4-2/h8-9H,3-7H2,1-2H3
InChIKeyBTOKFWVZBGKNOG-UHFFFAOYSA-N
MW161.08 g/mol
LogP3.53
Rot. Bonds5

About CID 163785890

CID 163785890 (PubChem CID 163785890) has the molecular formula C11H18B and a molecular weight of 161.08 g/mol.

Molecular Properties

Compound NameCID 163785890
PubChem CID163785890
Molecular FormulaC11H18B
Molecular Weight161.08 g/mol
Exact Mass161.15
IUPAC Name—
SMILESCC[B]C1=CCC(CCCC)=C1
InChIInChI=1S/C11H18B/c1-3-5-6-10-7-8-11(9-10)12-4-2/h8-9H,3-7H2,1-2H3
InChIKeyBTOKFWVZBGKNOG-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.08
LogP ≤ 53.53
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 163785890?
The IUPAC name of CID 163785890 (CID 163785890) is not available.
What is the SMILES notation for CID 163785890?
The canonical SMILES for CID 163785890 is CC[B]C1=CCC(CCCC)=C1.
What is the InChIKey of CID 163785890?
The InChIKey is BTOKFWVZBGKNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18B/c1-3-5-6-10-7-8-11(9-10)12-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of CID 163785890?
CID 163785890 has a molecular weight of 161.08 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163785890 is sourced from PubChem (CID 163785890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).