spiro[4.4]nonane-4,9-diol

C9H16O2 — CID 3635403

IUPACspiro[4.4]nonane-4,9-diol
SMILESOC1CCCC12CCCC2O
InChIInChI=1S/C9H16O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7-8,10-11H,1-6H2
InChIKeyACIVJWAOSTYYEP-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.06
Rot. Bonds

About spiro[4.4]nonane-4,9-diol

spiro[4.4]nonane-4,9-diol (PubChem CID 3635403) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is spiro[4.4]nonane-4,9-diol.

Molecular Properties

Compound Namespiro[4.4]nonane-4,9-diol
PubChem CID3635403
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namespiro[4.4]nonane-4,9-diol
SMILESOC1CCCC12CCCC2O
InChIInChI=1S/C9H16O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7-8,10-11H,1-6H2
InChIKeyACIVJWAOSTYYEP-UHFFFAOYSA-N
XLogP1.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro[4.4]nonan-1-ol
CID 258615
Spiro[4.4]nonan-2-ol
CID 15184481
1-(4-Hydroxy-2,2-tetramethylenebutyl)cyclopentanol
CID 12728376
(4R,9S)-spiro[4.4]nonane-4,9-diol
CID 676656
(4S)-spiro[4.4]nonane-4,9-diol
CID 58321007
(4R)-spiro[4.4]nonane-4,9-diol
CID 58321027
Spirononan-diol
CID 129648284
(4R,9R)-spiro[4.4]nonane-4,9-diol
CID 676655
(1S)-Spiro[4.4]nonan-1-ol
CID 12672537
1,3-Cyclopentanediol, 2-methyl-2-propyl-
CID 130143502
(4S,5R)-spiro[4.6]undecane-4,11-diol
CID 135066896
(4S,5R)-spiro[4.7]dodecane-4,12-diol
CID 135067668

Frequently Asked Questions

What is the IUPAC name of spiro[4.4]nonane-4,9-diol?
The IUPAC name of spiro[4.4]nonane-4,9-diol (CID 3635403) is spiro[4.4]nonane-4,9-diol.
What is the SMILES notation for spiro[4.4]nonane-4,9-diol?
The canonical SMILES for spiro[4.4]nonane-4,9-diol is OC1CCCC12CCCC2O.
What is the InChIKey of spiro[4.4]nonane-4,9-diol?
The InChIKey is ACIVJWAOSTYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7-8,10-11H,1-6H2.
What are the key properties of spiro[4.4]nonane-4,9-diol?
spiro[4.4]nonane-4,9-diol has a molecular weight of 156.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.4]nonane-4,9-diol is sourced from PubChem (CID 3635403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).