CID 91033875

C10H19B — CID 91033875

IUPAC—
SMILES[B]C1(CC)CCCC(C)CC1
InChIInChI=1S/C10H19B/c1-3-10(11)7-4-5-9(2)6-8-10/h9H,3-8H2,1-2H3
InChIKeyHIKOMQJLQOYRHB-UHFFFAOYSA-N
MW150.07 g/mol
LogP3.32
Rot. Bonds1

About CID 91033875

CID 91033875 (PubChem CID 91033875) has the molecular formula C10H19B and a molecular weight of 150.07 g/mol.

Molecular Properties

Compound NameCID 91033875
PubChem CID91033875
Molecular FormulaC10H19B
Molecular Weight150.07 g/mol
Exact Mass150.16
IUPAC Name—
SMILES[B]C1(CC)CCCC(C)CC1
InChIInChI=1S/C10H19B/c1-3-10(11)7-4-5-9(2)6-8-10/h9H,3-8H2,1-2H3
InChIKeyHIKOMQJLQOYRHB-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 91033875?
The IUPAC name of CID 91033875 (CID 91033875) is not available.
What is the SMILES notation for CID 91033875?
The canonical SMILES for CID 91033875 is [B]C1(CC)CCCC(C)CC1.
What is the InChIKey of CID 91033875?
The InChIKey is HIKOMQJLQOYRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19B/c1-3-10(11)7-4-5-9(2)6-8-10/h9H,3-8H2,1-2H3.
What are the key properties of CID 91033875?
CID 91033875 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 91033875 is sourced from PubChem (CID 91033875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).