CID 90261691

C8H12BO2 — CID 90261691

IUPAC—
SMILES[B]=C1OC(C)=C(C)C(C)(C)O1
InChIInChI=1S/C8H12BO2/c1-5-6(2)10-7(9)11-8(5,3)4/h1-4H3
InChIKeyFMWAHWIWZUWPHX-UHFFFAOYSA-N
MW150.99 g/mol
LogP1.36
Rot. Bonds

About CID 90261691

CID 90261691 (PubChem CID 90261691) has the molecular formula C8H12BO2 and a molecular weight of 150.99 g/mol.

Molecular Properties

Compound NameCID 90261691
PubChem CID90261691
Molecular FormulaC8H12BO2
Molecular Weight150.99 g/mol
Exact Mass151.09
IUPAC Name—
SMILES[B]=C1OC(C)=C(C)C(C)(C)O1
InChIInChI=1S/C8H12BO2/c1-5-6(2)10-7(9)11-8(5,3)4/h1-4H3
InChIKeyFMWAHWIWZUWPHX-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.99
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 90261691?
The IUPAC name of CID 90261691 (CID 90261691) is not available.
What is the SMILES notation for CID 90261691?
The canonical SMILES for CID 90261691 is [B]=C1OC(C)=C(C)C(C)(C)O1.
What is the InChIKey of CID 90261691?
The InChIKey is FMWAHWIWZUWPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BO2/c1-5-6(2)10-7(9)11-8(5,3)4/h1-4H3.
What are the key properties of CID 90261691?
CID 90261691 has a molecular weight of 150.99 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90261691 is sourced from PubChem (CID 90261691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).