9-phosphabicyclo[4.2.1]nonan-9-ylmethanol

C9H17OP — CID 85412308

IUPAC9-phosphabicyclo[4.2.1]nonan-9-ylmethanol
SMILESOCP1C2CCCCC1CC2
InChIInChI=1S/C9H17OP/c10-7-11-8-3-1-2-4-9(11)6-5-8/h8-10H,1-7H2
InChIKeyHPFSFIKFBKGDRF-UHFFFAOYSA-N
MW172.21 g/mol
LogP2.52
Rot. Bonds1

About 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol

9-phosphabicyclo[4.2.1]nonan-9-ylmethanol (PubChem CID 85412308) has the molecular formula C9H17OP and a molecular weight of 172.21 g/mol. Its IUPAC name is 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol.

Molecular Properties

Compound Name9-phosphabicyclo[4.2.1]nonan-9-ylmethanol
PubChem CID85412308
Molecular FormulaC9H17OP
Molecular Weight172.21 g/mol
Exact Mass172.10
IUPAC Name9-phosphabicyclo[4.2.1]nonan-9-ylmethanol
SMILESOCP1C2CCCCC1CC2
InChIInChI=1S/C9H17OP/c10-7-11-8-3-1-2-4-9(11)6-5-8/h8-10H,1-7H2
InChIKeyHPFSFIKFBKGDRF-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol?
The IUPAC name of 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol (CID 85412308) is 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol.
What is the SMILES notation for 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol?
The canonical SMILES for 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol is OCP1C2CCCCC1CC2.
What is the InChIKey of 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol?
The InChIKey is HPFSFIKFBKGDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17OP/c10-7-11-8-3-1-2-4-9(11)6-5-8/h8-10H,1-7H2.
What are the key properties of 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol?
9-phosphabicyclo[4.2.1]nonan-9-ylmethanol has a molecular weight of 172.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phosphabicyclo[4.2.1]nonan-9-ylmethanol is sourced from PubChem (CID 85412308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).