(4S)-3,3-dimethyl-4-propan-2-yloxydithiolane

C8H16OS2 — CID 170710533

IUPAC(4S)-3,3-dimethyl-4-propan-2-yloxydithiolane
SMILESCC(C)O[C@H]1CSSC1(C)C
InChIInChI=1S/C8H16OS2/c1-6(2)9-7-5-10-11-8(7,3)4/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyKXDAELBZYIJHTR-ZETCQYMHSA-N
MW192.35 g/mol
LogP2.95
Rot. Bonds2

About (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane

(4S)-3,3-dimethyl-4-propan-2-yloxydithiolane (PubChem CID 170710533) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-4-propan-2-yloxydithiolane
PubChem CID170710533
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name(4S)-3,3-dimethyl-4-propan-2-yloxydithiolane
SMILESCC(C)O[C@H]1CSSC1(C)C
InChIInChI=1S/C8H16OS2/c1-6(2)9-7-5-10-11-8(7,3)4/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyKXDAELBZYIJHTR-ZETCQYMHSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

(4S)-3,3,4-trimethyldithiolane
CID 178050090
(4S,5S)-3,3-dimethyl-5-phenyl-4-propan-2-yloxydithiolane
CID 170710418
4-propan-2-yl-3-propan-2-yloxydithiolane
CID 169266872
3,3-dimethyl-4-propan-2-yloxypiperidine
CID 130533491
1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane
CID 19911060
(3S)-2,2-difluoro-3-propan-2-yloxyoxolane
CID 170792317
2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidine
CID 141150714
1-methyl-2-propan-2-yloxycyclopropane
CID 56606917
4,4-dimethyltrithian-5-amine
CID 87549810
1-fluoroethylcyclopropane
CID 22262429
(4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane
CID 178139291
(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
CID 121261754

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane?
The IUPAC name of (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane (CID 170710533) is (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane.
What is the SMILES notation for (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane?
The canonical SMILES for (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane is CC(C)O[C@H]1CSSC1(C)C.
What is the InChIKey of (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane?
The InChIKey is KXDAELBZYIJHTR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16OS2/c1-6(2)9-7-5-10-11-8(7,3)4/h6-7H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane?
(4S)-3,3-dimethyl-4-propan-2-yloxydithiolane has a molecular weight of 192.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-4-propan-2-yloxydithiolane is sourced from PubChem (CID 170710533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).