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

C12H20S2 — CID 134986380

IUPAC6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane
SMILESC=C(C)C1CCC(C)C2(C1)SCCS2
InChIInChI=1S/C12H20S2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h10-11H,1,4-8H2,2-3H3
InChIKeyMAYDCKVXYRGPPZ-UHFFFAOYSA-N
MW228.43 g/mol
LogP4.18
Rot. Bonds1

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

6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane (PubChem CID 134986380) has the molecular formula C12H20S2 and a molecular weight of 228.43 g/mol. Its IUPAC name is 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane
PubChem CID134986380
Molecular FormulaC12H20S2
Molecular Weight228.43 g/mol
Exact Mass228.10
IUPAC Name6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane
SMILESC=C(C)C1CCC(C)C2(C1)SCCS2
InChIInChI=1S/C12H20S2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h10-11H,1,4-8H2,2-3H3
InChIKeyMAYDCKVXYRGPPZ-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane?
The IUPAC name of 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane (CID 134986380) is 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane.
What is the SMILES notation for 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane?
The canonical SMILES for 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane is C=C(C)C1CCC(C)C2(C1)SCCS2.
What is the InChIKey of 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane?
The InChIKey is MAYDCKVXYRGPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane?
6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane has a molecular weight of 228.43 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane is sourced from PubChem (CID 134986380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).