7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate

C10H14O3S — CID 538329

IUPAC7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate
SMILESCC(=O)OC1C2CCC3SC1CC3O2
InChIInChI=1S/C10H14O3S/c1-5(11)12-10-6-2-3-8-7(13-6)4-9(10)14-8/h6-10H,2-4H2,1H3
InChIKeyQPVXOTLNXBUTIG-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.35
Rot. Bonds1

About 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate

7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate (PubChem CID 538329) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate.

Molecular Properties

Compound Name7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate
PubChem CID538329
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate
SMILESCC(=O)OC1C2CCC3SC1CC3O2
InChIInChI=1S/C10H14O3S/c1-5(11)12-10-6-2-3-8-7(13-6)4-9(10)14-8/h6-10H,2-4H2,1H3
InChIKeyQPVXOTLNXBUTIG-UHFFFAOYSA-N
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
CID 164775782
[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
CID 100941844
2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl 7-thiabicyclo[4.1.0]heptane-3-carboxylate
CID 21053231
2-bicyclo[1.1.1]pentanyl acetate
CID 23270357
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 70197099
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1R,3R,6R)-3-tricyclo[2.2.1.02,6]heptanyl] acetate
CID 853444
(3-oxo-2-azabicyclo[2.2.1]heptan-5-yl) acetate
CID 130020157
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-[(2R)-thiiran-2-yl]oxolan-3-yl] acetate
CID 101047070
[(2R,3S,4R,6S)-6-acetyl-3,4-diacetyloxy-8-oxabicyclo[3.2.1]octan-2-yl] acetate
CID 102192106
[(2R,3R,4R,5S)-4,5-diacetyloxy-2-[(2R)-thiiran-2-yl]oxolan-3-yl] acetate
CID 101047069

Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate?
The IUPAC name of 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate (CID 538329) is 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate.
What is the SMILES notation for 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate?
The canonical SMILES for 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate is CC(=O)OC1C2CCC3SC1CC3O2.
What is the InChIKey of 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate?
The InChIKey is QPVXOTLNXBUTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-5(11)12-10-6-2-3-8-7(13-6)4-9(10)14-8/h6-10H,2-4H2,1H3.
What are the key properties of 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate?
7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate has a molecular weight of 214.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-thiatricyclo[4.3.1.03,8]decan-10-yl acetate is sourced from PubChem (CID 538329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).