CID 90726113

C10H19B — CID 90726113

IUPAC—
SMILES[B]C1(C(C)C)CCCCCC1
InChIInChI=1S/C10H19B/c1-9(2)10(11)7-5-3-4-6-8-10/h9H,3-8H2,1-2H3
InChIKeyUHDNDOGADYZLIW-UHFFFAOYSA-N
MW150.07 g/mol
LogP3.32
Rot. Bonds1

About CID 90726113

CID 90726113 (PubChem CID 90726113) has the molecular formula C10H19B and a molecular weight of 150.07 g/mol.

Molecular Properties

Compound NameCID 90726113
PubChem CID90726113
Molecular FormulaC10H19B
Molecular Weight150.07 g/mol
Exact Mass150.16
IUPAC Name—
SMILES[B]C1(C(C)C)CCCCCC1
InChIInChI=1S/C10H19B/c1-9(2)10(11)7-5-3-4-6-8-10/h9H,3-8H2,1-2H3
InChIKeyUHDNDOGADYZLIW-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 53.32
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 90726113?
The IUPAC name of CID 90726113 (CID 90726113) is not available.
What is the SMILES notation for CID 90726113?
The canonical SMILES for CID 90726113 is [B]C1(C(C)C)CCCCCC1.
What is the InChIKey of CID 90726113?
The InChIKey is UHDNDOGADYZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19B/c1-9(2)10(11)7-5-3-4-6-8-10/h9H,3-8H2,1-2H3.
What are the key properties of CID 90726113?
CID 90726113 has a molecular weight of 150.07 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90726113 is sourced from PubChem (CID 90726113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).