(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one

C11H16O2 — CID 10352283

IUPAC(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one
SMILESO=C1O[C@@H]2CCC[C@H]1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C11H16O2/c12-11-9-2-1-3-10(13-11)8-5-4-7(9)6-8/h7-10H,1-6H2/t7-,8+,9+,10-/m1/s1
InChIKeyOTGWLZZCPMNMMB-XFWSIPNHSA-N
MW180.25 g/mol
LogP2.13
Rot. Bonds

About (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one

(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one (PubChem CID 10352283) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one.

Molecular Properties

Compound Name(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one
PubChem CID10352283
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one
SMILESO=C1O[C@@H]2CCC[C@H]1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C11H16O2/c12-11-9-2-1-3-10(13-11)8-5-4-7(9)6-8/h7-10H,1-6H2/t7-,8+,9+,10-/m1/s1
InChIKeyOTGWLZZCPMNMMB-XFWSIPNHSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one
CID 28765601
8-amino-6-oxabicyclo[3.2.1]octan-7-one
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(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one
CID 57255921
(1S,2S,6R,7R)-8-oxatricyclo[5.2.2.02,6]undecan-9-one
CID 101453700
(4S,7R,11R)-6-oxa-1-azatricyclo[5.3.1.04,11]undecan-5-one
CID 131858810
3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
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(1S,5R)-3-oxatricyclo[7.3.1.05,13]tridecane-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one?
The IUPAC name of (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one (CID 10352283) is (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one.
What is the SMILES notation for (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one?
The canonical SMILES for (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one is O=C1O[C@@H]2CCC[C@H]1[C@@H]1CC[C@H]2C1.
What is the InChIKey of (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one?
The InChIKey is OTGWLZZCPMNMMB-XFWSIPNHSA-N. The full InChI is InChI=1S/C11H16O2/c12-11-9-2-1-3-10(13-11)8-5-4-7(9)6-8/h7-10H,1-6H2/t7-,8+,9+,10-/m1/s1.
What are the key properties of (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one?
(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one has a molecular weight of 180.25 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one is sourced from PubChem (CID 10352283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).