tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol

C10H14O2 — CID 556428

IUPACtetracyclo[5.2.1.02,6.04,8]decane-5,10-diol
SMILESOC1C2CC3C4CC2C(C4O)C13
InChIInChI=1S/C10H14O2/c11-9-5-1-3-6-2-4(5)8(7(3)9)10(6)12/h3-12H,1-2H2
InChIKeySPKXYVYIEGWWOZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.24
Rot. Bonds

About tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol

tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol (PubChem CID 556428) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol.

Molecular Properties

Compound Nametetracyclo[5.2.1.02,6.04,8]decane-5,10-diol
PubChem CID556428
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nametetracyclo[5.2.1.02,6.04,8]decane-5,10-diol
SMILESOC1C2CC3C4CC2C(C4O)C13
InChIInChI=1S/C10H14O2/c11-9-5-1-3-6-2-4(5)8(7(3)9)10(6)12/h3-12H,1-2H2
InChIKeySPKXYVYIEGWWOZ-UHFFFAOYSA-N
XLogP0.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol?
The IUPAC name of tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol (CID 556428) is tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol.
What is the SMILES notation for tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol?
The canonical SMILES for tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol is OC1C2CC3C4CC2C(C4O)C13.
What is the InChIKey of tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol?
The InChIKey is SPKXYVYIEGWWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-1-3-6-2-4(5)8(7(3)9)10(6)12/h3-12H,1-2H2.
What are the key properties of tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol?
tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol has a molecular weight of 166.22 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[5.2.1.02,6.04,8]decane-5,10-diol is sourced from PubChem (CID 556428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).