9-methyl-9-phosphabicyclo[3.3.1]nonane

C9H17P — CID 18343626

IUPAC9-methyl-9-phosphabicyclo[3.3.1]nonane
SMILESCP1C2CCCC1CCC2
InChIInChI=1S/C9H17P/c1-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3
InChIKeyHAWODWPGBKZKDO-UHFFFAOYSA-N
MW156.21 g/mol
LogP3.20
Rot. Bonds

About 9-methyl-9-phosphabicyclo[3.3.1]nonane

9-methyl-9-phosphabicyclo[3.3.1]nonane (PubChem CID 18343626) has the molecular formula C9H17P and a molecular weight of 156.21 g/mol. Its IUPAC name is 9-methyl-9-phosphabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-9-phosphabicyclo[3.3.1]nonane
PubChem CID18343626
Molecular FormulaC9H17P
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Name9-methyl-9-phosphabicyclo[3.3.1]nonane
SMILESCP1C2CCCC1CCC2
InChIInChI=1S/C9H17P/c1-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3
InChIKeyHAWODWPGBKZKDO-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-fluoro-9-phosphabicyclo[3.3.1]nonane
CID 89001053
(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane
CID 123179204
bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
CID 155884997
cyclooctane;methylcyclobutane
CID 159456217
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
(2R,6S)-2,6-dimethylpiperidine;hydrochloride
CID 6420071
9-fluoro-9-phosphabicyclo[4.2.1]nonane
CID 89001054
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phosphabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-9-phosphabicyclo[3.3.1]nonane (CID 18343626) is 9-methyl-9-phosphabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-9-phosphabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-9-phosphabicyclo[3.3.1]nonane is CP1C2CCCC1CCC2.
What is the InChIKey of 9-methyl-9-phosphabicyclo[3.3.1]nonane?
The InChIKey is HAWODWPGBKZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17P/c1-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 9-methyl-9-phosphabicyclo[3.3.1]nonane?
9-methyl-9-phosphabicyclo[3.3.1]nonane has a molecular weight of 156.21 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phosphabicyclo[3.3.1]nonane is sourced from PubChem (CID 18343626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).