spiro[4.5]decane-1,4,8-triol

C10H18O3 — CID 141272897

IUPACspiro[4.5]decane-1,4,8-triol
SMILESOC1CCC2(CC1)C(O)CCC2O
InChIInChI=1S/C10H18O3/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7-9,11-13H,1-6H2
InChIKeyBGGWMTUIMFYSHR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.42
Rot. Bonds

About spiro[4.5]decane-1,4,8-triol

spiro[4.5]decane-1,4,8-triol (PubChem CID 141272897) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is spiro[4.5]decane-1,4,8-triol.

Molecular Properties

Compound Namespiro[4.5]decane-1,4,8-triol
PubChem CID141272897
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namespiro[4.5]decane-1,4,8-triol
SMILESOC1CCC2(CC1)C(O)CCC2O
InChIInChI=1S/C10H18O3/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7-9,11-13H,1-6H2
InChIKeyBGGWMTUIMFYSHR-UHFFFAOYSA-N
XLogP0.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[4.5]decane-1,4,8-triol?
The IUPAC name of spiro[4.5]decane-1,4,8-triol (CID 141272897) is spiro[4.5]decane-1,4,8-triol.
What is the SMILES notation for spiro[4.5]decane-1,4,8-triol?
The canonical SMILES for spiro[4.5]decane-1,4,8-triol is OC1CCC2(CC1)C(O)CCC2O.
What is the InChIKey of spiro[4.5]decane-1,4,8-triol?
The InChIKey is BGGWMTUIMFYSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7-9,11-13H,1-6H2.
What are the key properties of spiro[4.5]decane-1,4,8-triol?
spiro[4.5]decane-1,4,8-triol has a molecular weight of 186.25 g/mol, XLogP of 0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]decane-1,4,8-triol is sourced from PubChem (CID 141272897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).