2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane

C28H44S6 — CID 139058872

IUPAC—
SMILESC1CSC2(SCCSCCSC3(SCCS1)C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3
InChIInChI=1S/C28H44S6/c1-5-31-27(23-11-19-9-20(13-23)14-24(27)12-19)33-7-3-30-4-8-34-28(32-6-2-29-1)25-15-21-10-22(17-25)18-26(28)16-21/h19-26H,1-18H2
InChIKeyROOZFZCWDWENSY-UHFFFAOYSA-N
MW573.06 g/mol
LogP8.70
Rot. Bonds

About 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane

2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane (PubChem CID 139058872) has the molecular formula C28H44S6 and a molecular weight of 573.06 g/mol.

Molecular Properties

Compound Name2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane
PubChem CID139058872
Molecular FormulaC28H44S6
Molecular Weight573.06 g/mol
Exact Mass572.18
IUPAC Name—
SMILESC1CSC2(SCCSCCSC3(SCCS1)C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3
InChIInChI=1S/C28H44S6/c1-5-31-27(23-11-19-9-20(13-23)14-24(27)12-19)33-7-3-30-4-8-34-28(32-6-2-29-1)25-15-21-10-22(17-25)18-26(28)16-21/h19-26H,1-18H2
InChIKeyROOZFZCWDWENSY-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.06
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Adamantane, 2,2-ethylenedithio-
CID 607837
Dispiro[adamantane-2,2'-[1,3]dithiolane-4',2''-adamantane]
CID 1735978
Dispiro[1,3-dithietane-2,2':4,2''-diadamantane]
CID 5232433
CID 13514133
CID 13514133
Spiro[1,3-dithiane-2,2'-adamantane]
CID 12927839
Dispiro[adamantane-2,3'-[1,2,4]-trithiolane-5',2''-adamantane]
CID 1719069
Trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]
CID 5232434
Di(2-adamantyl) disulfide
CID 13117838
1-(1-Adamantylsulfanylmethylsulfanyl)adamantane
CID 59872405
5-Methylspiro[1,3-dithiane-2,2'-adamantane]
CID 89114753
2,9,16,23,30-Pentathiahexacyclo[30.2.2.24,7.211,14.218,21.225,28]tetratetracontane
CID 132012734
5,13,21,29,34,39-Hexathiaheptacyclo[15.15.3.39,25.13,31.17,11.115,19.123,27]dotetracontane
CID 138752564

Frequently Asked Questions

What is the IUPAC name of 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane?
The IUPAC name of 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane (CID 139058872) is not available.
What is the SMILES notation for 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane?
The canonical SMILES for 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane is C1CSC2(SCCSCCSC3(SCCS1)C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3.
What is the InChIKey of 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane?
The InChIKey is ROOZFZCWDWENSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44S6/c1-5-31-27(23-11-19-9-20(13-23)14-24(27)12-19)33-7-3-30-4-8-34-28(32-6-2-29-1)25-15-21-10-22(17-25)18-26(28)16-21/h19-26H,1-18H2.
What are the key properties of 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane?
2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane has a molecular weight of 573.06 g/mol, XLogP of 8.70, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane is sourced from PubChem (CID 139058872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).