spiro[4.4]nonane;dihydrochloride

C9H18Cl2 — CID 172764572

IUPACspiro[4.4]nonane;dihydrochloride
SMILESC1CCC2(C1)CCCC2.Cl.Cl
InChIInChI=1S/C9H16.2ClH/c1-2-6-9(5-1)7-3-4-8-9;;/h1-8H2;2*1H
InChIKeyMDFLWMGLWZFLQB-UHFFFAOYSA-N
MW197.15 g/mol
LogP3.96
Rot. Bonds

About spiro[4.4]nonane;dihydrochloride

spiro[4.4]nonane;dihydrochloride (PubChem CID 172764572) has the molecular formula C9H18Cl2 and a molecular weight of 197.15 g/mol. Its IUPAC name is spiro[4.4]nonane;dihydrochloride.

Molecular Properties

Compound Namespiro[4.4]nonane;dihydrochloride
PubChem CID172764572
Molecular FormulaC9H18Cl2
Molecular Weight197.15 g/mol
Exact Mass196.08
IUPAC Namespiro[4.4]nonane;dihydrochloride
SMILESC1CCC2(C1)CCCC2.Cl.Cl
InChIInChI=1S/C9H16.2ClH/c1-2-6-9(5-1)7-3-4-8-9;;/h1-8H2;2*1H
InChIKeyMDFLWMGLWZFLQB-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[4.4]nonane
CID 90780660
spiro[2.6]nonane;hydrochloride
CID 141316852
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
spiro[2.7]decane
CID 12657449
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
methane;spiro[3.3]heptane
CID 142516352
8-deuteriospiro[4.5]decane
CID 175750196
dispiro[2.1.45.23]undecane
CID 123654868
methanol;spiro[3.3]heptane
CID 170155109
spiro[4.7]dodec-9-ene
CID 173457967
11-azadispiro[4.2.58.25]pentadecane
CID 114820262

Frequently Asked Questions

What is the IUPAC name of spiro[4.4]nonane;dihydrochloride?
The IUPAC name of spiro[4.4]nonane;dihydrochloride (CID 172764572) is spiro[4.4]nonane;dihydrochloride.
What is the SMILES notation for spiro[4.4]nonane;dihydrochloride?
The canonical SMILES for spiro[4.4]nonane;dihydrochloride is C1CCC2(C1)CCCC2.Cl.Cl.
What is the InChIKey of spiro[4.4]nonane;dihydrochloride?
The InChIKey is MDFLWMGLWZFLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.2ClH/c1-2-6-9(5-1)7-3-4-8-9;;/h1-8H2;2*1H.
What are the key properties of spiro[4.4]nonane;dihydrochloride?
spiro[4.4]nonane;dihydrochloride has a molecular weight of 197.15 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.4]nonane;dihydrochloride is sourced from PubChem (CID 172764572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).