CID 59301894

C9H17BO — CID 59301894

IUPAC—
SMILES[B][C@@H]1O[C@](C)(CC)[C@H](C)C1C
InChIInChI=1S/C9H17BO/c1-5-9(4)7(3)6(2)8(10)11-9/h6-8H,5H2,1-4H3/t6?,7-,8-,9-/m1/s1
InChIKeyVRZKVPNTCCMXMT-FUZJYRNYSA-N
MW152.05 g/mol
LogP1.95
Rot. Bonds1

About CID 59301894

CID 59301894 (PubChem CID 59301894) has the molecular formula C9H17BO and a molecular weight of 152.05 g/mol.

Molecular Properties

Compound NameCID 59301894
PubChem CID59301894
Molecular FormulaC9H17BO
Molecular Weight152.05 g/mol
Exact Mass152.14
IUPAC Name—
SMILES[B][C@@H]1O[C@](C)(CC)[C@H](C)C1C
InChIInChI=1S/C9H17BO/c1-5-9(4)7(3)6(2)8(10)11-9/h6-8H,5H2,1-4H3/t6?,7-,8-,9-/m1/s1
InChIKeyVRZKVPNTCCMXMT-FUZJYRNYSA-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 59301894?
The IUPAC name of CID 59301894 (CID 59301894) is not available.
What is the SMILES notation for CID 59301894?
The canonical SMILES for CID 59301894 is [B][C@@H]1O[C@](C)(CC)[C@H](C)C1C.
What is the InChIKey of CID 59301894?
The InChIKey is VRZKVPNTCCMXMT-FUZJYRNYSA-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-/m1/s1.
What are the key properties of CID 59301894?
CID 59301894 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 59301894 is sourced from PubChem (CID 59301894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).