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

C12H18S2 — CID 15625911

IUPAC6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)SCCS2
InChIInChI=1S/C12H18S2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h4,11H,1,5-8H2,2-3H3
InChIKeyILSZDVXYTKTGET-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.10
Rot. Bonds1

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

6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene (PubChem CID 15625911) has the molecular formula C12H18S2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
PubChem CID15625911
Molecular FormulaC12H18S2
Molecular Weight226.41 g/mol
Exact Mass226.08
IUPAC Name6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)SCCS2
InChIInChI=1S/C12H18S2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h4,11H,1,5-8H2,2-3H3
InChIKeyILSZDVXYTKTGET-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.10
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
7-Methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 11194768
7-(Pent-4-en-1-yl)-1,4-dithiaspiro[4.5]dec-6-ene
CID 132451981
Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
Hexahydro-benzo[b]thiophene
CID 67855462
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
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-Ethyl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429915

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene?
The IUPAC name of 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene (CID 15625911) is 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene is C=C(C)C1CC=C(C)C2(C1)SCCS2.
What is the InChIKey of 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene?
The InChIKey is ILSZDVXYTKTGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h4,11H,1,5-8H2,2-3H3.
What are the key properties of 6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene?
6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene has a molecular weight of 226.41 g/mol, XLogP of 4.10, 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]dec-6-ene is sourced from PubChem (CID 15625911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).