9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane

C12H22S2 — CID 12794267

IUPAC9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
SMILESCC1CCC(C(C)C)C2(C1)SCCS2
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
InChIKeyDNXUKZZSEGMLQQ-UHFFFAOYSA-N
MW230.44 g/mol
LogP4.25
Rot. Bonds1

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

9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane (PubChem CID 12794267) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
PubChem CID12794267
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
SMILESCC1CCC(C(C)C)C2(C1)SCCS2
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
InChIKeyDNXUKZZSEGMLQQ-UHFFFAOYSA-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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Related Compounds

2,8-Epithio-cis-p-menthane, (+-)-
CID 109332
6-Methyl-1,4-dithiaspiro(4.5)decane
CID 35791
1,4-Dithiaspiro(4.5)decane, 7-methyl-
CID 28570
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
CID 45275886
1,5-Dithiaspiro[5.5]undecane, 10-methyl-7-(1-methylethyl)-
CID 594637
8-Tert-butyl-1,4-dithiaspiro[4.5]decane
CID 12616133
p-Menth-3-yl methyl sulphide
CID 12326071
(1S,4S,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
CID 56924133
(1R,4R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane
CID 171058201
(6s,9r)-6-(1-Methylethyl)-9methyl-1,4-dithiaspiro[4,5]decane
CID 11107170
(1S,2S,4R)-4-methyl-2-methylsulfanyl-1-propan-2-ylcyclohexane
CID 12326074
(1R,2R,4R,5R)-2,5-di(propan-2-yl)-7-thiabicyclo[2.2.1]heptane
CID 15396336

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane?
The IUPAC name of 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane (CID 12794267) is 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane.
What is the SMILES notation for 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane?
The canonical SMILES for 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane is CC1CCC(C(C)C)C2(C1)SCCS2.
What is the InChIKey of 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane?
The InChIKey is DNXUKZZSEGMLQQ-UHFFFAOYSA-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.
What are the key properties of 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane?
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 9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane is sourced from PubChem (CID 12794267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).