10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one

C11H16O2 — CID 123915338

IUPAC10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESCC1(C)C2CCC1C1C(=O)OCC12
InChIInChI=1S/C11H16O2/c1-11(2)7-3-4-8(11)9-6(7)5-13-10(9)12/h6-9H,3-5H2,1-2H3
InChIKeyGRRFSEJINOERLG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.84
Rot. Bonds

About 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one

10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 123915338) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID123915338
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESCC1(C)C2CCC1C1C(=O)OCC12
InChIInChI=1S/C11H16O2/c1-11(2)7-3-4-8(11)9-6(7)5-13-10(9)12/h6-9H,3-5H2,1-2H3
InChIKeyGRRFSEJINOERLG-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one
CID 134965168
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 11804959
(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 98044810
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 124787625
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 98519994
(1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 14754472
CID 163768197
CID 163768197
(8-methyl-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) prop-2-enoate
CID 22168877
(2S,6R)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 12006893
(1S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11321038
CID 67472598
CID 67472598
6-[(E)-prop-1-enyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 101178407

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one (CID 123915338) is 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one is CC1(C)C2CCC1C1C(=O)OCC12.
What is the InChIKey of 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is GRRFSEJINOERLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2)7-3-4-8(11)9-6(7)5-13-10(9)12/h6-9H,3-5H2,1-2H3.
What are the key properties of 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one?
10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 123915338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).