CID 90843183

C19H35B — CID 90843183

IUPAC—
SMILES[B]C1(C(C)(C)C)CCCCCC(C(C)C(C)C)C2CC21
InChIInChI=1S/C19H35B/c1-13(2)14(3)15-10-8-7-9-11-19(20,18(4,5)6)17-12-16(15)17/h13-17H,7-12H2,1-6H3
InChIKeyVTAWWLJNHKOADD-UHFFFAOYSA-N
MW274.30 g/mol
LogP5.87
Rot. Bonds2

About CID 90843183

CID 90843183 (PubChem CID 90843183) has the molecular formula C19H35B and a molecular weight of 274.30 g/mol.

Molecular Properties

Compound NameCID 90843183
PubChem CID90843183
Molecular FormulaC19H35B
Molecular Weight274.30 g/mol
Exact Mass274.28
IUPAC Name—
SMILES[B]C1(C(C)(C)C)CCCCCC(C(C)C(C)C)C2CC21
InChIInChI=1S/C19H35B/c1-13(2)14(3)15-10-8-7-9-11-19(20,18(4,5)6)17-12-16(15)17/h13-17H,7-12H2,1-6H3
InChIKeyVTAWWLJNHKOADD-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.30
LogP ≤ 55.87
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 90843183?
The IUPAC name of CID 90843183 (CID 90843183) is not available.
What is the SMILES notation for CID 90843183?
The canonical SMILES for CID 90843183 is [B]C1(C(C)(C)C)CCCCCC(C(C)C(C)C)C2CC21.
What is the InChIKey of CID 90843183?
The InChIKey is VTAWWLJNHKOADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35B/c1-13(2)14(3)15-10-8-7-9-11-19(20,18(4,5)6)17-12-16(15)17/h13-17H,7-12H2,1-6H3.
What are the key properties of CID 90843183?
CID 90843183 has a molecular weight of 274.30 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90843183 is sourced from PubChem (CID 90843183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).