9-oxatricyclo[5.3.1.03,8]undecan-10-one

C10H14O2 — CID 85194968

IUPAC9-oxatricyclo[5.3.1.03,8]undecan-10-one
SMILESO=C1OC2C3CCCC2CC1C3
InChIInChI=1S/C10H14O2/c11-10-8-4-6-2-1-3-7(5-8)9(6)12-10/h6-9H,1-5H2
InChIKeyHHMRTJUGRIXQRI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.74
Rot. Bonds

About 9-oxatricyclo[5.3.1.03,8]undecan-10-one

9-oxatricyclo[5.3.1.03,8]undecan-10-one (PubChem CID 85194968) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 9-oxatricyclo[5.3.1.03,8]undecan-10-one.

Molecular Properties

Compound Name9-oxatricyclo[5.3.1.03,8]undecan-10-one
PubChem CID85194968
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name9-oxatricyclo[5.3.1.03,8]undecan-10-one
SMILESO=C1OC2C3CCCC2CC1C3
InChIInChI=1S/C10H14O2/c11-10-8-4-6-2-1-3-7(5-8)9(6)12-10/h6-9H,1-5H2
InChIKeyHHMRTJUGRIXQRI-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tricyclo[9.2.1.14,7]pentadecane-5,6,12,13-tetrone
CID 155116648
(3S,4R)-4-cyclohexyl-3-methyloxetan-2-one
CID 11275238
bicyclo[3.3.1]nonane-2,3,4-trione
CID 91546154
3-oxatricyclo[3.3.1.02,4]nonane
CID 87443945
21,21-dimethyl-3,14-dioxatetracyclo[14.2.2.14,13.06,11]henicosane-2,15-dione
CID 67708903
ethane;methanol;6-oxabicyclo[3.2.1]octan-7-one
CID 90865162
tricyclo[8.2.1.14,7]tetradecane-5,6,11,12-tetrone
CID 139469180
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dione
CID 68535573
7-hydroxybicyclo[3.2.1]octan-6-one
CID 15203399
(1R,2S,6R,7S)-4-oxatricyclo[5.3.2.02,6]dodecane-3,5-dione
CID 87492074
(1S,5R)-3-oxatricyclo[7.3.1.05,13]tridecane-2,4-dione
CID 95907328
4-methyl-3-oxabicyclo[4.3.2]undecan-2-one
CID 123229983

Frequently Asked Questions

What is the IUPAC name of 9-oxatricyclo[5.3.1.03,8]undecan-10-one?
The IUPAC name of 9-oxatricyclo[5.3.1.03,8]undecan-10-one (CID 85194968) is 9-oxatricyclo[5.3.1.03,8]undecan-10-one.
What is the SMILES notation for 9-oxatricyclo[5.3.1.03,8]undecan-10-one?
The canonical SMILES for 9-oxatricyclo[5.3.1.03,8]undecan-10-one is O=C1OC2C3CCCC2CC1C3.
What is the InChIKey of 9-oxatricyclo[5.3.1.03,8]undecan-10-one?
The InChIKey is HHMRTJUGRIXQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-10-8-4-6-2-1-3-7(5-8)9(6)12-10/h6-9H,1-5H2.
What are the key properties of 9-oxatricyclo[5.3.1.03,8]undecan-10-one?
9-oxatricyclo[5.3.1.03,8]undecan-10-one has a molecular weight of 166.22 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxatricyclo[5.3.1.03,8]undecan-10-one is sourced from PubChem (CID 85194968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).