CID 90136214

C7H13BO2 — CID 90136214

IUPAC—
SMILES[B][C@H]1C[C@@H](C)[C@@H](COC)O1
InChIInChI=1S/C7H13BO2/c1-5-3-7(8)10-6(5)4-9-2/h5-7H,3-4H2,1-2H3/t5-,6-,7-/m1/s1
InChIKeyKLMZZJICFZOUJP-FSDSQADBSA-N
MW139.99 g/mol
LogP0.55
Rot. Bonds2

About CID 90136214

CID 90136214 (PubChem CID 90136214) has the molecular formula C7H13BO2 and a molecular weight of 139.99 g/mol.

Molecular Properties

Compound NameCID 90136214
PubChem CID90136214
Molecular FormulaC7H13BO2
Molecular Weight139.99 g/mol
Exact Mass140.10
IUPAC Name—
SMILES[B][C@H]1C[C@@H](C)[C@@H](COC)O1
InChIInChI=1S/C7H13BO2/c1-5-3-7(8)10-6(5)4-9-2/h5-7H,3-4H2,1-2H3/t5-,6-,7-/m1/s1
InChIKeyKLMZZJICFZOUJP-FSDSQADBSA-N
XLogP0.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.99
LogP ≤ 50.55
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 90136214?
The IUPAC name of CID 90136214 (CID 90136214) is not available.
What is the SMILES notation for CID 90136214?
The canonical SMILES for CID 90136214 is [B][C@H]1C[C@@H](C)[C@@H](COC)O1.
What is the InChIKey of CID 90136214?
The InChIKey is KLMZZJICFZOUJP-FSDSQADBSA-N. The full InChI is InChI=1S/C7H13BO2/c1-5-3-7(8)10-6(5)4-9-2/h5-7H,3-4H2,1-2H3/t5-,6-,7-/m1/s1.
What are the key properties of CID 90136214?
CID 90136214 has a molecular weight of 139.99 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90136214 is sourced from PubChem (CID 90136214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).