spiro[4.5]decane-2,3-diol

C10H18O2 — CID 12530979

IUPACspiro[4.5]decane-2,3-diol
SMILESOC1CC2(CCCCC2)CC1O
InChIInChI=1S/C10H18O2/c11-8-6-10(7-9(8)12)4-2-1-3-5-10/h8-9,11-12H,1-7H2
InChIKeyXUJBNAXFLQEGKZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.45
Rot. Bonds

About spiro[4.5]decane-2,3-diol

spiro[4.5]decane-2,3-diol (PubChem CID 12530979) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is spiro[4.5]decane-2,3-diol.

Molecular Properties

Compound Namespiro[4.5]decane-2,3-diol
PubChem CID12530979
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namespiro[4.5]decane-2,3-diol
SMILESOC1CC2(CCCCC2)CC1O
InChIInChI=1S/C10H18O2/c11-8-6-10(7-9(8)12)4-2-1-3-5-10/h8-9,11-12H,1-7H2
InChIKeyXUJBNAXFLQEGKZ-UHFFFAOYSA-N
XLogP1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methylspiro[3.5]nonane
CID 164868147
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
CID 123272406
2,4-difluorospiro[5.6]dodecane
CID 70974173
(2S,3S)-2,3-dimethylspiro[4.4]nonane
CID 58622704
spiro[2.7]decane
CID 12657449
2-methoxyspiro[3.5]nonane
CID 162724743
spiro[4.4]nonane
CID 90780660
spiro[2.6]nonane;hydrochloride
CID 141316852
spiro[4.7]dodec-2-ene
CID 173458049
dispiro[5.1.58.16]tetradecane-7,14-diol
CID 21492522
spiro[4.6]undec-2-ene
CID 123632667
tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
CID 178194398

Frequently Asked Questions

What is the IUPAC name of spiro[4.5]decane-2,3-diol?
The IUPAC name of spiro[4.5]decane-2,3-diol (CID 12530979) is spiro[4.5]decane-2,3-diol.
What is the SMILES notation for spiro[4.5]decane-2,3-diol?
The canonical SMILES for spiro[4.5]decane-2,3-diol is OC1CC2(CCCCC2)CC1O.
What is the InChIKey of spiro[4.5]decane-2,3-diol?
The InChIKey is XUJBNAXFLQEGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-8-6-10(7-9(8)12)4-2-1-3-5-10/h8-9,11-12H,1-7H2.
What are the key properties of spiro[4.5]decane-2,3-diol?
spiro[4.5]decane-2,3-diol has a molecular weight of 170.25 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]decane-2,3-diol is sourced from PubChem (CID 12530979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).