5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol

C11H18O2 — CID 163628233

IUPAC5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol
SMILESCC1(O)CC2(C)CC3CC(O)(C1)C32
InChIInChI=1S/C11H18O2/c1-9-3-7-4-11(13,8(7)9)6-10(2,12)5-9/h7-8,12-13H,3-6H2,1-2H3
InChIKeyHTUXDRWWPWSHGY-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.31
Rot. Bonds

About 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol

5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol (PubChem CID 163628233) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol.

Molecular Properties

Compound Name5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol
PubChem CID163628233
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol
SMILESCC1(O)CC2(C)CC3CC(O)(C1)C32
InChIInChI=1S/C11H18O2/c1-9-3-7-4-11(13,8(7)9)6-10(2,12)5-9/h7-8,12-13H,3-6H2,1-2H3
InChIKeyHTUXDRWWPWSHGY-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol?
The IUPAC name of 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol (CID 163628233) is 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol.
What is the SMILES notation for 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol?
The canonical SMILES for 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol is CC1(O)CC2(C)CC3CC(O)(C1)C32.
What is the InChIKey of 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol?
The InChIKey is HTUXDRWWPWSHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-3-7-4-11(13,8(7)9)6-10(2,12)5-9/h7-8,12-13H,3-6H2,1-2H3.
What are the key properties of 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol?
5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol has a molecular weight of 182.26 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol is sourced from PubChem (CID 163628233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).