CID 174094547

C6H11BO — CID 174094547

IUPAC—
SMILES[B][C@@]1(C)C[C@@H](C)CO1
InChIInChI=1S/C6H11BO/c1-5-3-6(2,7)8-4-5/h5H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyOJTXCKIUELMNHG-PHDIDXHHSA-N
MW109.96 g/mol
LogP0.93
Rot. Bonds

About CID 174094547

CID 174094547 (PubChem CID 174094547) has the molecular formula C6H11BO and a molecular weight of 109.96 g/mol.

Molecular Properties

Compound NameCID 174094547
PubChem CID174094547
Molecular FormulaC6H11BO
Molecular Weight109.96 g/mol
Exact Mass110.09
IUPAC Name—
SMILES[B][C@@]1(C)C[C@@H](C)CO1
InChIInChI=1S/C6H11BO/c1-5-3-6(2,7)8-4-5/h5H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyOJTXCKIUELMNHG-PHDIDXHHSA-N
XLogP0.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.96
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyloxolane
CID 136791
2,4-Dimethyltetrahydrofuran
CID 520942
Furan, tetrahydro-2,4-dimethyl-, cis-
CID 6432406
CID 174134935
CID 174134935
2,2,4-Trimethyloxolane
CID 12231382
Furan, tetrahydro-2,4-dimethyl-, trans-
CID 58689673
(2R,4S)-2,4-dimethyloxolane
CID 70311342
(2S,4S)-2,4-dimethyloxolane
CID 14585207
CID 20645300
CID 20645300
CID 57693516
CID 57693516
(4R)-2,2,4-trimethyloxolane
CID 57696844
(4S)-2,2,4-trimethyloxolane
CID 57696845

Frequently Asked Questions

What is the IUPAC name of CID 174094547?
The IUPAC name of CID 174094547 (CID 174094547) is not available.
What is the SMILES notation for CID 174094547?
The canonical SMILES for CID 174094547 is [B][C@@]1(C)C[C@@H](C)CO1.
What is the InChIKey of CID 174094547?
The InChIKey is OJTXCKIUELMNHG-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11BO/c1-5-3-6(2,7)8-4-5/h5H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of CID 174094547?
CID 174094547 has a molecular weight of 109.96 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174094547 is sourced from PubChem (CID 174094547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).