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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Related Compounds

(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
CID 10397451
(4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 10262949
(1S,4R,4aR,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162963435
(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one
CID 11747033
3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
CID 163960686
7,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-6-en-8-ol
CID 162899953
cis-(1R,3R)-1-methyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 162915511
8a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8-octahydroazulen-1-one
CID 10376840
(3R,4S,4aR,6R,8aR)-3-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 162897254
CID 153385207
CID 153385207
isocyanic acid;1-methyl-4-prop-1-en-2-ylcyclohexane
CID 87750066
(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
CID 10036509

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).