9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one

C11H16O3 — CID 71413496

IUPAC9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one
SMILESCC12CCC3CCCCC3(O1)C(=O)O2
InChIInChI=1S/C11H16O3/c1-10-7-5-8-4-2-3-6-11(8,14-10)9(12)13-10/h8H,2-7H2,1H3
InChIKeyDOMUNMTYMDDRGO-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.00
Rot. Bonds

About 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one

9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one (PubChem CID 71413496) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one.

Molecular Properties

Compound Name9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one
PubChem CID71413496
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one
SMILESCC12CCC3CCCCC3(O1)C(=O)O2
InChIInChI=1S/C11H16O3/c1-10-7-5-8-4-2-3-6-11(8,14-10)9(12)13-10/h8H,2-7H2,1H3
InChIKeyDOMUNMTYMDDRGO-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one?
The IUPAC name of 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one (CID 71413496) is 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one.
What is the SMILES notation for 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one?
The canonical SMILES for 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one is CC12CCC3CCCCC3(O1)C(=O)O2.
What is the InChIKey of 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one?
The InChIKey is DOMUNMTYMDDRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-10-7-5-8-4-2-3-6-11(8,14-10)9(12)13-10/h8H,2-7H2,1H3.
What are the key properties of 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one?
9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one has a molecular weight of 196.25 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10,12-dioxatricyclo[7.2.1.01,6]dodecan-11-one is sourced from PubChem (CID 71413496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).