CID 89010935

C8H13BO2 — CID 89010935

IUPAC—
SMILES[B][C@@H]1CC[C@]2(O)C[C@@H](C)O[C@H]12
InChIInChI=1S/C8H13BO2/c1-5-4-8(10)3-2-6(9)7(8)11-5/h5-7,10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKeySNOKFSWVUSLCHU-XUTVFYLZSA-N
MW152.00 g/mol
LogP0.65
Rot. Bonds

About CID 89010935

CID 89010935 (PubChem CID 89010935) has the molecular formula C8H13BO2 and a molecular weight of 152.00 g/mol.

Molecular Properties

Compound NameCID 89010935
PubChem CID89010935
Molecular FormulaC8H13BO2
Molecular Weight152.00 g/mol
Exact Mass152.10
IUPAC Name—
SMILES[B][C@@H]1CC[C@]2(O)C[C@@H](C)O[C@H]12
InChIInChI=1S/C8H13BO2/c1-5-4-8(10)3-2-6(9)7(8)11-5/h5-7,10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKeySNOKFSWVUSLCHU-XUTVFYLZSA-N
XLogP0.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.00
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 58231555
(2S,3S,3aR,6R,6aR)-3-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 58231575
(2S,3R,3aR,6R,6aR)-3-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 58231578
CID 145436634
CID 145436634
(5S,9R)-1-oxaspiro[4.4]nonan-9-ol
CID 10678352
(5S,9S)-1-oxaspiro[4.4]nonan-9-ol
CID 10820630
(3S,3aR,6aS)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
CID 101708072
(2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 58231574
(2R,6R,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 66927614
2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 77200231
CID 87207689
CID 87207689
CID 88982927
CID 88982927

Frequently Asked Questions

What is the IUPAC name of CID 89010935?
The IUPAC name of CID 89010935 (CID 89010935) is not available.
What is the SMILES notation for CID 89010935?
The canonical SMILES for CID 89010935 is [B][C@@H]1CC[C@]2(O)C[C@@H](C)O[C@H]12.
What is the InChIKey of CID 89010935?
The InChIKey is SNOKFSWVUSLCHU-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H13BO2/c1-5-4-8(10)3-2-6(9)7(8)11-5/h5-7,10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1.
What are the key properties of CID 89010935?
CID 89010935 has a molecular weight of 152.00 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89010935 is sourced from PubChem (CID 89010935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).