spiro[5.5]undecane-2,2,4,4-tetrol

C11H20O4 — CID 140976072

IUPACspiro[5.5]undecane-2,2,4,4-tetrol
SMILESOC1(O)CC(O)(O)CC2(CCCCC2)C1
InChIInChI=1S/C11H20O4/c12-10(13)6-9(4-2-1-3-5-9)7-11(14,15)8-10/h12-15H,1-8H2
InChIKeyBCJDNKIDDMQQRV-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.48
Rot. Bonds

About spiro[5.5]undecane-2,2,4,4-tetrol

spiro[5.5]undecane-2,2,4,4-tetrol (PubChem CID 140976072) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is spiro[5.5]undecane-2,2,4,4-tetrol.

Molecular Properties

Compound Namespiro[5.5]undecane-2,2,4,4-tetrol
PubChem CID140976072
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namespiro[5.5]undecane-2,2,4,4-tetrol
SMILESOC1(O)CC(O)(O)CC2(CCCCC2)C1
InChIInChI=1S/C11H20O4/c12-10(13)6-9(4-2-1-3-5-9)7-11(14,15)8-10/h12-15H,1-8H2
InChIKeyBCJDNKIDDMQQRV-UHFFFAOYSA-N
XLogP0.48
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[5.5]undecane-2,2,4,4-tetrol?
The IUPAC name of spiro[5.5]undecane-2,2,4,4-tetrol (CID 140976072) is spiro[5.5]undecane-2,2,4,4-tetrol.
What is the SMILES notation for spiro[5.5]undecane-2,2,4,4-tetrol?
The canonical SMILES for spiro[5.5]undecane-2,2,4,4-tetrol is OC1(O)CC(O)(O)CC2(CCCCC2)C1.
What is the InChIKey of spiro[5.5]undecane-2,2,4,4-tetrol?
The InChIKey is BCJDNKIDDMQQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c12-10(13)6-9(4-2-1-3-5-9)7-11(14,15)8-10/h12-15H,1-8H2.
What are the key properties of spiro[5.5]undecane-2,2,4,4-tetrol?
spiro[5.5]undecane-2,2,4,4-tetrol has a molecular weight of 216.28 g/mol, XLogP of 0.48, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undecane-2,2,4,4-tetrol is sourced from PubChem (CID 140976072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).