9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol

C11H18O3 — CID 73120868

IUPAC9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol
SMILESCC12OCC3CCCCC3(CC1O)O2
InChIInChI=1S/C11H18O3/c1-10-9(12)6-11(14-10)5-3-2-4-8(11)7-13-10/h8-9,12H,2-7H2,1H3
InChIKeySJTGVJPDRXRVPI-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.44
Rot. Bonds

About 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol

9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol (PubChem CID 73120868) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol.

Molecular Properties

Compound Name9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol
PubChem CID73120868
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol
SMILESCC12OCC3CCCCC3(CC1O)O2
InChIInChI=1S/C11H18O3/c1-10-9(12)6-11(14-10)5-3-2-4-8(11)7-13-10/h8-9,12H,2-7H2,1H3
InChIKeySJTGVJPDRXRVPI-UHFFFAOYSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol?
The IUPAC name of 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol (CID 73120868) is 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol.
What is the SMILES notation for 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol?
The canonical SMILES for 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol is CC12OCC3CCCCC3(CC1O)O2.
What is the InChIKey of 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol?
The InChIKey is SJTGVJPDRXRVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10-9(12)6-11(14-10)5-3-2-4-8(11)7-13-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol?
9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol has a molecular weight of 198.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol is sourced from PubChem (CID 73120868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).