(6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane

C12H22S2 — CID 11107170

IUPAC(6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
SMILESCC(C)[C@@H]1CC[C@@H](C)CC12SCCS2
InChIInChI=1S/C12H22S2/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14-12/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeyDNXUKZZSEGMLQQ-MNOVXSKESA-N
MW230.44 g/mol
LogP4.25
Rot. Bonds1

About (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane

(6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane (PubChem CID 11107170) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name(6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
PubChem CID11107170
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name(6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
SMILESCC(C)[C@@H]1CC[C@@H](C)CC12SCCS2
InChIInChI=1S/C12H22S2/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14-12/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeyDNXUKZZSEGMLQQ-MNOVXSKESA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane?
The IUPAC name of (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane (CID 11107170) is (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane.
What is the SMILES notation for (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane?
The canonical SMILES for (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane is CC(C)[C@@H]1CC[C@@H](C)CC12SCCS2.
What is the InChIKey of (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane?
The InChIKey is DNXUKZZSEGMLQQ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22S2/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14-12/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane?
(6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane has a molecular weight of 230.44 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane is sourced from PubChem (CID 11107170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).