CID 88982927

C7H11BO2 — CID 88982927

IUPAC—
SMILES[B]C1CC2CC[C@@H](O)C2O1
InChIInChI=1S/C7H11BO2/c8-6-3-4-1-2-5(9)7(4)10-6/h4-7,9H,1-3H2/t4?,5-,6?,7?/m1/s1
InChIKeyNMCJTLSWPKVAJA-BWZSGCSDSA-N
MW137.97 g/mol
LogP0.04
Rot. Bonds

About CID 88982927

CID 88982927 (PubChem CID 88982927) has the molecular formula C7H11BO2 and a molecular weight of 137.97 g/mol.

Molecular Properties

Compound NameCID 88982927
PubChem CID88982927
Molecular FormulaC7H11BO2
Molecular Weight137.97 g/mol
Exact Mass138.09
IUPAC Name—
SMILES[B]C1CC2CC[C@@H](O)C2O1
InChIInChI=1S/C7H11BO2/c8-6-3-4-1-2-5(9)7(4)10-6/h4-7,9H,1-3H2/t4?,5-,6?,7?/m1/s1
InChIKeyNMCJTLSWPKVAJA-BWZSGCSDSA-N
XLogP0.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.97
LogP ≤ 50.04
H-Bond Donors ≤ 51
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 88982927?
The IUPAC name of CID 88982927 (CID 88982927) is not available.
What is the SMILES notation for CID 88982927?
The canonical SMILES for CID 88982927 is [B]C1CC2CC[C@@H](O)C2O1.
What is the InChIKey of CID 88982927?
The InChIKey is NMCJTLSWPKVAJA-BWZSGCSDSA-N. The full InChI is InChI=1S/C7H11BO2/c8-6-3-4-1-2-5(9)7(4)10-6/h4-7,9H,1-3H2/t4?,5-,6?,7?/m1/s1.
What are the key properties of CID 88982927?
CID 88982927 has a molecular weight of 137.97 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88982927 is sourced from PubChem (CID 88982927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).