spiro[3.5]nonane-3,7-diol

C9H16O2 — CID 139886993

IUPACspiro[3.5]nonane-3,7-diol
SMILESOC1CCC2(CC1)CCC2O
InChIInChI=1S/C9H16O2/c10-7-1-4-9(5-2-7)6-3-8(9)11/h7-8,10-11H,1-6H2
InChIKeyWMVJAEHLPHBMCE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.06
Rot. Bonds

About spiro[3.5]nonane-3,7-diol

spiro[3.5]nonane-3,7-diol (PubChem CID 139886993) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is spiro[3.5]nonane-3,7-diol.

Molecular Properties

Compound Namespiro[3.5]nonane-3,7-diol
PubChem CID139886993
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namespiro[3.5]nonane-3,7-diol
SMILESOC1CCC2(CC1)CCC2O
InChIInChI=1S/C9H16O2/c10-7-1-4-9(5-2-7)6-3-8(9)11/h7-8,10-11H,1-6H2
InChIKeyWMVJAEHLPHBMCE-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

7-azaspiro[3.5]nonan-3-ol;hydrochloride
CID 121209162
spiro[4.5]decan-4-ol;dihydrochloride
CID 141041320
8,8,9-trimethylspiro[3.5]nonan-7-ol
CID 123702304
potassium cyclopropanol
CID 18764435
cyclohexane-1,4-diol
CID 11162
3-hydroxy-6-azaspiro[3.4]octan-7-one
CID 146160573
4,4-bis(fluoromethyl)cyclohexan-1-ol
CID 90016387
cyclobutanol;cyclopropanol
CID 175019048
cyclohexane-1,4-diol;hydrochloride
CID 141062883
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
4,4-difluorocycloheptan-1-ol
CID 155821204
4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
CID 141270843

Frequently Asked Questions

What is the IUPAC name of spiro[3.5]nonane-3,7-diol?
The IUPAC name of spiro[3.5]nonane-3,7-diol (CID 139886993) is spiro[3.5]nonane-3,7-diol.
What is the SMILES notation for spiro[3.5]nonane-3,7-diol?
The canonical SMILES for spiro[3.5]nonane-3,7-diol is OC1CCC2(CC1)CCC2O.
What is the InChIKey of spiro[3.5]nonane-3,7-diol?
The InChIKey is WMVJAEHLPHBMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-7-1-4-9(5-2-7)6-3-8(9)11/h7-8,10-11H,1-6H2.
What are the key properties of spiro[3.5]nonane-3,7-diol?
spiro[3.5]nonane-3,7-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[3.5]nonane-3,7-diol is sourced from PubChem (CID 139886993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).