CID 173479636

C9H17BO — CID 173479636

IUPAC—
SMILES[B][C@@H]1O[C@@](C)(CC)C(C)[C@@H]1C
InChIInChI=1S/C9H17BO/c1-5-9(4)7(3)6(2)8(10)11-9/h6-8H,5H2,1-4H3/t6-,7?,8+,9-/m0/s1
InChIKeyVRZKVPNTCCMXMT-ZZMKPFPKSA-N
MW152.05 g/mol
LogP1.95
Rot. Bonds1

About CID 173479636

CID 173479636 (PubChem CID 173479636) has the molecular formula C9H17BO and a molecular weight of 152.05 g/mol.

Molecular Properties

Compound NameCID 173479636
PubChem CID173479636
Molecular FormulaC9H17BO
Molecular Weight152.05 g/mol
Exact Mass152.14
IUPAC Name—
SMILES[B][C@@H]1O[C@@](C)(CC)C(C)[C@@H]1C
InChIInChI=1S/C9H17BO/c1-5-9(4)7(3)6(2)8(10)11-9/h6-8H,5H2,1-4H3/t6-,7?,8+,9-/m0/s1
InChIKeyVRZKVPNTCCMXMT-ZZMKPFPKSA-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 173479636?
The IUPAC name of CID 173479636 (CID 173479636) is not available.
What is the SMILES notation for CID 173479636?
The canonical SMILES for CID 173479636 is [B][C@@H]1O[C@@](C)(CC)C(C)[C@@H]1C.
What is the InChIKey of CID 173479636?
The InChIKey is VRZKVPNTCCMXMT-ZZMKPFPKSA-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/t6-,7?,8+,9-/m0/s1.
What are the key properties of CID 173479636?
CID 173479636 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 173479636 is sourced from PubChem (CID 173479636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).