CID 23051882

C18H28B — CID 23051882

IUPAC—
SMILESCC1C(C23[B]C(CCC2)CCC3)=CC2CC1C2(C)C
InChIInChI=1S/C18H28B/c1-12-15-10-13(17(15,2)3)11-16(12)18-8-4-6-14(19-18)7-5-9-18/h11-15H,4-10H2,1-3H3
InChIKeyDQGMQIQCEZQPPV-UHFFFAOYSA-N
MW255.23 g/mol
LogP5.24
Rot. Bonds1

About CID 23051882

CID 23051882 (PubChem CID 23051882) has the molecular formula C18H28B and a molecular weight of 255.23 g/mol.

Molecular Properties

Compound NameCID 23051882
PubChem CID23051882
Molecular FormulaC18H28B
Molecular Weight255.23 g/mol
Exact Mass255.23
IUPAC Name—
SMILESCC1C(C23[B]C(CCC2)CCC3)=CC2CC1C2(C)C
InChIInChI=1S/C18H28B/c1-12-15-10-13(17(15,2)3)11-16(12)18-8-4-6-14(19-18)7-5-9-18/h11-15H,4-10H2,1-3H3
InChIKeyDQGMQIQCEZQPPV-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.23
LogP ≤ 55.24
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 23051882?
The IUPAC name of CID 23051882 (CID 23051882) is not available.
What is the SMILES notation for CID 23051882?
The canonical SMILES for CID 23051882 is CC1C(C23[B]C(CCC2)CCC3)=CC2CC1C2(C)C.
What is the InChIKey of CID 23051882?
The InChIKey is DQGMQIQCEZQPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28B/c1-12-15-10-13(17(15,2)3)11-16(12)18-8-4-6-14(19-18)7-5-9-18/h11-15H,4-10H2,1-3H3.
What are the key properties of CID 23051882?
CID 23051882 has a molecular weight of 255.23 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23051882 is sourced from PubChem (CID 23051882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).