spiro[2.10]tridecane-13,13-diol

C13H24O2 — CID 67652572

IUPACspiro[2.10]tridecane-13,13-diol
SMILESOC1(O)CCCCCCCCCC12CC2
InChIInChI=1S/C13H24O2/c14-13(15)9-7-5-3-1-2-4-6-8-12(13)10-11-12/h14-15H,1-11H2
InChIKeyKWMDRKJFLJYUJC-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.97
Rot. Bonds

About spiro[2.10]tridecane-13,13-diol

spiro[2.10]tridecane-13,13-diol (PubChem CID 67652572) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is spiro[2.10]tridecane-13,13-diol.

Molecular Properties

Compound Namespiro[2.10]tridecane-13,13-diol
PubChem CID67652572
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namespiro[2.10]tridecane-13,13-diol
SMILESOC1(O)CCCCCCCCCC12CC2
InChIInChI=1S/C13H24O2/c14-13(15)9-7-5-3-1-2-4-6-8-12(13)10-11-12/h14-15H,1-11H2
InChIKeyKWMDRKJFLJYUJC-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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[2.10]tridecane-13,13-diol?
The IUPAC name of spiro[2.10]tridecane-13,13-diol (CID 67652572) is spiro[2.10]tridecane-13,13-diol.
What is the SMILES notation for spiro[2.10]tridecane-13,13-diol?
The canonical SMILES for spiro[2.10]tridecane-13,13-diol is OC1(O)CCCCCCCCCC12CC2.
What is the InChIKey of spiro[2.10]tridecane-13,13-diol?
The InChIKey is KWMDRKJFLJYUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-13(15)9-7-5-3-1-2-4-6-8-12(13)10-11-12/h14-15H,1-11H2.
What are the key properties of spiro[2.10]tridecane-13,13-diol?
spiro[2.10]tridecane-13,13-diol has a molecular weight of 212.33 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.10]tridecane-13,13-diol is sourced from PubChem (CID 67652572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).