CID 178032656

C10H17BO — CID 178032656

IUPAC—
SMILES[B]OC1(C)CC2C[C@@H](C1)C2(C)C
InChIInChI=1S/C10H17BO/c1-9(2)7-4-8(9)6-10(3,5-7)12-11/h7-8H,4-6H2,1-3H3/t7-,8?,10?/m0/s1
InChIKeyFCOJMAAJTWXZIC-JEUQWKINSA-N
MW164.06 g/mol
LogP2.30
Rot. Bonds1

About CID 178032656

CID 178032656 (PubChem CID 178032656) has the molecular formula C10H17BO and a molecular weight of 164.06 g/mol.

Molecular Properties

Compound NameCID 178032656
PubChem CID178032656
Molecular FormulaC10H17BO
Molecular Weight164.06 g/mol
Exact Mass164.14
IUPAC Name—
SMILES[B]OC1(C)CC2C[C@@H](C1)C2(C)C
InChIInChI=1S/C10H17BO/c1-9(2)7-4-8(9)6-10(3,5-7)12-11/h7-8H,4-6H2,1-3H3/t7-,8?,10?/m0/s1
InChIKeyFCOJMAAJTWXZIC-JEUQWKINSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 178032656?
The IUPAC name of CID 178032656 (CID 178032656) is not available.
What is the SMILES notation for CID 178032656?
The canonical SMILES for CID 178032656 is [B]OC1(C)CC2C[C@@H](C1)C2(C)C.
What is the InChIKey of CID 178032656?
The InChIKey is FCOJMAAJTWXZIC-JEUQWKINSA-N. The full InChI is InChI=1S/C10H17BO/c1-9(2)7-4-8(9)6-10(3,5-7)12-11/h7-8H,4-6H2,1-3H3/t7-,8?,10?/m0/s1.
What are the key properties of CID 178032656?
CID 178032656 has a molecular weight of 164.06 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178032656 is sourced from PubChem (CID 178032656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).