CID 159099716

C15H28B — CID 159099716

IUPAC—
SMILESC.C1CCC2CC3CCCCC3CC2C1.[B]
InChIInChI=1S/C14H24.CH4.B/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h11-14H,1-10H2;1H4;
InChIKeyCQOWBJBBVRNNGH-UHFFFAOYSA-N
MW219.20 g/mol
LogP4.65
Rot. Bonds

About CID 159099716

CID 159099716 (PubChem CID 159099716) has the molecular formula C15H28B and a molecular weight of 219.20 g/mol.

Molecular Properties

Compound NameCID 159099716
PubChem CID159099716
Molecular FormulaC15H28B
Molecular Weight219.20 g/mol
Exact Mass219.23
IUPAC Name—
SMILESC.C1CCC2CC3CCCCC3CC2C1.[B]
InChIInChI=1S/C14H24.CH4.B/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h11-14H,1-10H2;1H4;
InChIKeyCQOWBJBBVRNNGH-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 54.65
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 159099716?
The IUPAC name of CID 159099716 (CID 159099716) is not available.
What is the SMILES notation for CID 159099716?
The canonical SMILES for CID 159099716 is C.C1CCC2CC3CCCCC3CC2C1.[B].
What is the InChIKey of CID 159099716?
The InChIKey is CQOWBJBBVRNNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24.CH4.B/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h11-14H,1-10H2;1H4;.
What are the key properties of CID 159099716?
CID 159099716 has a molecular weight of 219.20 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159099716 is sourced from PubChem (CID 159099716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).