CID 18764306

C12H23B — CID 18764306

IUPAC—
SMILES[B]C1(CCC)CCCCC1CCC
InChIInChI=1S/C12H23B/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h11H,3-10H2,1-2H3
InChIKeyLQCJZSUSYGYYGK-UHFFFAOYSA-N
MW178.13 g/mol
LogP4.10
Rot. Bonds4

About CID 18764306

CID 18764306 (PubChem CID 18764306) has the molecular formula C12H23B and a molecular weight of 178.13 g/mol.

Molecular Properties

Compound NameCID 18764306
PubChem CID18764306
Molecular FormulaC12H23B
Molecular Weight178.13 g/mol
Exact Mass178.19
IUPAC Name—
SMILES[B]C1(CCC)CCCCC1CCC
InChIInChI=1S/C12H23B/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h11H,3-10H2,1-2H3
InChIKeyLQCJZSUSYGYYGK-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 54.10
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 18764306?
The IUPAC name of CID 18764306 (CID 18764306) is not available.
What is the SMILES notation for CID 18764306?
The canonical SMILES for CID 18764306 is [B]C1(CCC)CCCCC1CCC.
What is the InChIKey of CID 18764306?
The InChIKey is LQCJZSUSYGYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23B/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h11H,3-10H2,1-2H3.
What are the key properties of CID 18764306?
CID 18764306 has a molecular weight of 178.13 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18764306 is sourced from PubChem (CID 18764306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).