17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane

C16H26S — CID 166041120

IUPAC17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane
SMILESC1CCC2CC3C(CC2C1)SC1CCCCC13
InChIInChI=1S/C16H26S/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h11-16H,1-10H2
InChIKeyHBNYRJSCBYWGDU-UHFFFAOYSA-N
MW250.45 g/mol
LogP4.88
Rot. Bonds

About 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane

17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane (PubChem CID 166041120) has the molecular formula C16H26S and a molecular weight of 250.45 g/mol. Its IUPAC name is 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane.

Molecular Properties

Compound Name17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane
PubChem CID166041120
Molecular FormulaC16H26S
Molecular Weight250.45 g/mol
Exact Mass250.18
IUPAC Name17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane
SMILESC1CCC2CC3C(CC2C1)SC1CCCCC13
InChIInChI=1S/C16H26S/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h11-16H,1-10H2
InChIKeyHBNYRJSCBYWGDU-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-thiatricyclo[6.3.0.02,6]undecane
CID 58594501
7-[6-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-yl)-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl]-2-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
CID 153439325
5,20-dithiaoctacyclo[14.14.0.03,14.04,12.06,11.018,29.019,27.021,26]triacontane
CID 155086938
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[11.1.0]tetradecane
CID 90981498
(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane
CID 101020983
3-[9-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(3-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 155326895
2-[3-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-2-yl)-5-(4-methylidenecyclohexyl)cyclohexyl]-1,2,3,4,4a,5a,8,9,9a,9b-decahydrodibenzothiophene
CID 167205235
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972

Frequently Asked Questions

What is the IUPAC name of 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane?
The IUPAC name of 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane (CID 166041120) is 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane.
What is the SMILES notation for 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane?
The canonical SMILES for 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane is C1CCC2CC3C(CC2C1)SC1CCCCC13.
What is the InChIKey of 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane?
The InChIKey is HBNYRJSCBYWGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26S/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h11-16H,1-10H2.
What are the key properties of 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane?
17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane has a molecular weight of 250.45 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane is sourced from PubChem (CID 166041120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).