pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol

C10H12O2 — CID 575976

IUPACpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
SMILESOC1C2C3C(O)C4C2C2C1C3C42
InChIInChI=1S/C10H12O2/c11-9-5-1-2-4(5)8-7(9)3(1)6(2)10(8)12/h1-12H
InChIKeyXPRBZRUGYHJOGG-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.29
Rot. Bonds

About pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol

pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol (PubChem CID 575976) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol.

Molecular Properties

Compound Namepentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
PubChem CID575976
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namepentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
SMILESOC1C2C3C(O)C4C2C2C1C3C42
InChIInChI=1S/C10H12O2/c11-9-5-1-2-4(5)8-7(9)3(1)6(2)10(8)12/h1-12H
InChIKeyXPRBZRUGYHJOGG-UHFFFAOYSA-N
XLogP-0.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol?
The IUPAC name of pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol (CID 575976) is pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol.
What is the SMILES notation for pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol?
The canonical SMILES for pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol is OC1C2C3C(O)C4C2C2C1C3C42.
What is the InChIKey of pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol?
The InChIKey is XPRBZRUGYHJOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-5-1-2-4(5)8-7(9)3(1)6(2)10(8)12/h1-12H.
What are the key properties of pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol?
pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol has a molecular weight of 164.20 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol is sourced from PubChem (CID 575976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).