spiro[4.5]decane-4,4-diol

C10H18O2 — CID 90704370

IUPACspiro[4.5]decane-4,4-diol
SMILESOC1(O)CCCC12CCCCC2
InChIInChI=1S/C10H18O2/c11-10(12)8-4-7-9(10)5-2-1-3-6-9/h11-12H,1-8H2
InChIKeyBAYXAXFLSOKKNR-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.80
Rot. Bonds

About spiro[4.5]decane-4,4-diol

spiro[4.5]decane-4,4-diol (PubChem CID 90704370) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is spiro[4.5]decane-4,4-diol.

Molecular Properties

Compound Namespiro[4.5]decane-4,4-diol
PubChem CID90704370
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namespiro[4.5]decane-4,4-diol
SMILESOC1(O)CCCC12CCCCC2
InChIInChI=1S/C10H18O2/c11-10(12)8-4-7-9(10)5-2-1-3-6-9/h11-12H,1-8H2
InChIKeyBAYXAXFLSOKKNR-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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[4.5]decane-4,4-diol?
The IUPAC name of spiro[4.5]decane-4,4-diol (CID 90704370) is spiro[4.5]decane-4,4-diol.
What is the SMILES notation for spiro[4.5]decane-4,4-diol?
The canonical SMILES for spiro[4.5]decane-4,4-diol is OC1(O)CCCC12CCCCC2.
What is the InChIKey of spiro[4.5]decane-4,4-diol?
The InChIKey is BAYXAXFLSOKKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-10(12)8-4-7-9(10)5-2-1-3-6-9/h11-12H,1-8H2.
What are the key properties of spiro[4.5]decane-4,4-diol?
spiro[4.5]decane-4,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.80, 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-4,4-diol is sourced from PubChem (CID 90704370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).