pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol

C12H16O2 — CID 13108252

IUPACpentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
SMILESOC1C2CC3C(O)C4CC1C1C2C3C41
InChIInChI=1S/C12H16O2/c13-11-3-1-4-8-7(3)9-5(11)2-6(10(8)9)12(4)14/h3-14H,1-2H2
InChIKeyQEWPKZUNKWGTPE-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.49
Rot. Bonds

About pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol

pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol (PubChem CID 13108252) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol.

Molecular Properties

Compound Namepentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
PubChem CID13108252
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namepentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
SMILESOC1C2CC3C(O)C4CC1C1C2C3C41
InChIInChI=1S/C12H16O2/c13-11-3-1-4-8-7(3)9-5(11)2-6(10(8)9)12(4)14/h3-14H,1-2H2
InChIKeyQEWPKZUNKWGTPE-UHFFFAOYSA-N
XLogP0.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol?
The IUPAC name of pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol (CID 13108252) is pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol.
What is the SMILES notation for pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol?
The canonical SMILES for pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol is OC1C2CC3C(O)C4CC1C1C2C3C41.
What is the InChIKey of pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol?
The InChIKey is QEWPKZUNKWGTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-3-1-4-8-7(3)9-5(11)2-6(10(8)9)12(4)14/h3-14H,1-2H2.
What are the key properties of pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol?
pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol has a molecular weight of 192.26 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol is sourced from PubChem (CID 13108252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).