10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one

C9H12O3 — CID 89259422

IUPAC10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
SMILESCC1C2CCC1C1OC(=O)OC21
InChIInChI=1S/C9H12O3/c1-4-5-2-3-6(4)8-7(5)11-9(10)12-8/h4-8H,2-3H2,1H3
InChIKeyCOCKFIHNBYYTAR-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.57
Rot. Bonds

About 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one

10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one (PubChem CID 89259422) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

Compound Name10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
PubChem CID89259422
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
SMILESCC1C2CCC1C1OC(=O)OC21
InChIInChI=1S/C9H12O3/c1-4-5-2-3-6(4)8-7(5)11-9(10)12-8/h4-8H,2-3H2,1H3
InChIKeyCOCKFIHNBYYTAR-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 73819666
3,5-Dioxatricyclo[5.2.1.02,6]decane
CID 12450055
4,4-Dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 12513636
3,5-Dioxatricyclo[5.2.1.02,6]decan-4-one
CID 57959351
10,12-Dioxatetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 68020703
8-Ethyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 68272938
4-Ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 71126793
3,5-Dioxatricyclo[5.2.1.02,6]decan-4-one;2-methylpropane
CID 91534605
8-Methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
CID 118688937
4-Ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 123967929
8-Propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
CID 126514237
8-Ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
CID 131983355

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one?
The IUPAC name of 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one (CID 89259422) is 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one.
What is the SMILES notation for 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one?
The canonical SMILES for 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one is CC1C2CCC1C1OC(=O)OC21.
What is the InChIKey of 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one?
The InChIKey is COCKFIHNBYYTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-4-5-2-3-6(4)8-7(5)11-9(10)12-8/h4-8H,2-3H2,1H3.
What are the key properties of 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one?
10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one has a molecular weight of 168.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 89259422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).