(12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane

C14H24O2S2 — CID 838902

IUPAC(12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane
SMILESCC(C)(C)[C@@H]1CCC2(OCCO2)C2(C1)SCCS2
InChIInChI=1S/C14H24O2S2/c1-12(2,3)11-4-5-13(15-6-7-16-13)14(10-11)17-8-9-18-14/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyVXKKADBORMPSNU-LLVKDONJSA-N
MW288.48 g/mol
LogP3.75
Rot. Bonds

About (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane

(12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane (PubChem CID 838902) has the molecular formula C14H24O2S2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane.

Molecular Properties

Compound Name(12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane
PubChem CID838902
Molecular FormulaC14H24O2S2
Molecular Weight288.48 g/mol
Exact Mass288.12
IUPAC Name(12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane
SMILESCC(C)(C)[C@@H]1CCC2(OCCO2)C2(C1)SCCS2
InChIInChI=1S/C14H24O2S2/c1-12(2,3)11-4-5-13(15-6-7-16-13)14(10-11)17-8-9-18-14/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyVXKKADBORMPSNU-LLVKDONJSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane?
The IUPAC name of (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane (CID 838902) is (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane.
What is the SMILES notation for (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane?
The canonical SMILES for (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane is CC(C)(C)[C@@H]1CCC2(OCCO2)C2(C1)SCCS2.
What is the InChIKey of (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane?
The InChIKey is VXKKADBORMPSNU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24O2S2/c1-12(2,3)11-4-5-13(15-6-7-16-13)14(10-11)17-8-9-18-14/h11H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane?
(12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane has a molecular weight of 288.48 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane is sourced from PubChem (CID 838902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).