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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Related Compounds

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CID 177482890
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CID 143398960
(1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
CID 70887532
2,6-dimethyl-1-oxaspiro[4.5]decan-4-one
CID 24974113
(3R,4S)-4-cyclohexyl-3,4-dimethyloxetan-2-one
CID 88528296
(2aS,5aS,9aR)-3,4,5,5a,6,7,8,9-octahydro-2aH-naphtho[8a,1-b]oxet-2-one
CID 101413436
3,3-dimethyltricyclo[4.4.0.01,5]decan-4-one
CID 130029675
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050
(3E,3aS,7aS)-3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
CID 21160609
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(1-methylcyclopentyl)cyclohexane
CID 13217819
8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one
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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).