(8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene

C12H20S2 — CID 134986299

IUPAC(8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESCC1=C[C@@H](C(C)C)CCC12SCCS2
InChIInChI=1S/C12H20S2/c1-9(2)11-4-5-12(10(3)8-11)13-6-7-14-12/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyOMEQSGCFARZYNP-NSHDSACASA-N
MW228.43 g/mol
LogP4.18
Rot. Bonds1

About (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene

(8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene (PubChem CID 134986299) has the molecular formula C12H20S2 and a molecular weight of 228.43 g/mol. Its IUPAC name is (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
PubChem CID134986299
Molecular FormulaC12H20S2
Molecular Weight228.43 g/mol
Exact Mass228.10
IUPAC Name(8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESCC1=C[C@@H](C(C)C)CCC12SCCS2
InChIInChI=1S/C12H20S2/c1-9(2)11-4-5-12(10(3)8-11)13-6-7-14-12/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyOMEQSGCFARZYNP-NSHDSACASA-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

4,7,7-Trimethyl-6-thiabicyclo[3.2.1]oct-3-ene
CID 110922
2(4aH)-Naphthalenone, 3,4,5,6,7,8-hexahydro-, dithiaethylene acetal
CID 607700
6-Methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
CID 15625911
Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene
CID 375769
1-methyl-4-[(5E)-6-methyl-7,7-bis(methylsulfanyl)hepta-1,5-dien-2-yl]cyclohexene
CID 12453920
7,9,9-Trimethyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 12616889
3-Butyl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429919
(4S,4aR)-4,4a-dimethylspiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]
CID 46217590
6-But-3-enyl-7-methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 53254729
2-(4-Prop-1-en-2-ylcyclohexen-1-yl)-1,3-dithiane
CID 85928606
(1s,5s)-4,6,6-Trimethylspiro[bicyclo[3.1.1]hept-3-ene-2,2'-[1,3]dithiolane]
CID 129753267

Frequently Asked Questions

What is the IUPAC name of (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene?
The IUPAC name of (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene (CID 134986299) is (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene.
What is the SMILES notation for (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene?
The canonical SMILES for (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene is CC1=C[C@@H](C(C)C)CCC12SCCS2.
What is the InChIKey of (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene?
The InChIKey is OMEQSGCFARZYNP-NSHDSACASA-N. The full InChI is InChI=1S/C12H20S2/c1-9(2)11-4-5-12(10(3)8-11)13-6-7-14-12/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene?
(8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene 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 (8R)-6-methyl-8-propan-2-yl-1,4-dithiaspiro[4.5]dec-6-ene is sourced from PubChem (CID 134986299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).