CID 158237947

C11H29B3 — CID 158237947

IUPAC—
SMILESCCB(C)C.CC[B]CC.C[B]CC
InChIInChI=1S/C4H11B.C4H10B.C3H8B/c1-4-5(2)3;1-3-5-4-2;1-3-4-2/h4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyDQXRYJUPBBVVTJ-UHFFFAOYSA-N
MW193.79 g/mol
LogP4.50
Rot. Bonds4

About CID 158237947

CID 158237947 (PubChem CID 158237947) has the molecular formula C11H29B3 and a molecular weight of 193.79 g/mol.

Molecular Properties

Compound NameCID 158237947
PubChem CID158237947
Molecular FormulaC11H29B3
Molecular Weight193.79 g/mol
Exact Mass194.25
IUPAC Name—
SMILESCCB(C)C.CC[B]CC.C[B]CC
InChIInChI=1S/C4H11B.C4H10B.C3H8B/c1-4-5(2)3;1-3-5-4-2;1-3-4-2/h4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyDQXRYJUPBBVVTJ-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.79
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 158237947?
The IUPAC name of CID 158237947 (CID 158237947) is not available.
What is the SMILES notation for CID 158237947?
The canonical SMILES for CID 158237947 is CCB(C)C.CC[B]CC.C[B]CC.
What is the InChIKey of CID 158237947?
The InChIKey is DQXRYJUPBBVVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11B.C4H10B.C3H8B/c1-4-5(2)3;1-3-5-4-2;1-3-4-2/h4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of CID 158237947?
CID 158237947 has a molecular weight of 193.79 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158237947 is sourced from PubChem (CID 158237947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).