CID 20614250

C9H17BO — CID 20614250

IUPAC—
SMILES[B]C1OC(C)(CC)C(C)C1C
InChIInChI=1S/C9H17BO/c1-5-9(4)7(3)6(2)8(10)11-9/h6-8H,5H2,1-4H3
InChIKeyVRZKVPNTCCMXMT-UHFFFAOYSA-N
MW152.05 g/mol
LogP1.95
Rot. Bonds1

About CID 20614250

CID 20614250 (PubChem CID 20614250) has the molecular formula C9H17BO and a molecular weight of 152.05 g/mol.

Molecular Properties

Compound NameCID 20614250
PubChem CID20614250
Molecular FormulaC9H17BO
Molecular Weight152.05 g/mol
Exact Mass152.14
IUPAC Name—
SMILES[B]C1OC(C)(CC)C(C)C1C
InChIInChI=1S/C9H17BO/c1-5-9(4)7(3)6(2)8(10)11-9/h6-8H,5H2,1-4H3
InChIKeyVRZKVPNTCCMXMT-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.05
LogP ≤ 51.95
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 20614250?
The IUPAC name of CID 20614250 (CID 20614250) is not available.
What is the SMILES notation for CID 20614250?
The canonical SMILES for CID 20614250 is [B]C1OC(C)(CC)C(C)C1C.
What is the InChIKey of CID 20614250?
The InChIKey is VRZKVPNTCCMXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO/c1-5-9(4)7(3)6(2)8(10)11-9/h6-8H,5H2,1-4H3.
What are the key properties of CID 20614250?
CID 20614250 has a molecular weight of 152.05 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20614250 is sourced from PubChem (CID 20614250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).