6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene

C14H18S3 — CID 10265817

IUPAC6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESC#CCSC1CCC2(SCCS2)C(C=C)=C1C
InChIInChI=1S/C14H18S3/c1-4-8-15-13-6-7-14(16-9-10-17-14)12(5-2)11(13)3/h1,5,13H,2,6-10H2,3H3
InChIKeyOTEFYEAUXSHPLE-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.19
Rot. Bonds3

About 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene

6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene (PubChem CID 10265817) has the molecular formula C14H18S3 and a molecular weight of 282.50 g/mol. Its IUPAC name is 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
PubChem CID10265817
Molecular FormulaC14H18S3
Molecular Weight282.50 g/mol
Exact Mass282.06
IUPAC Name6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESC#CCSC1CCC2(SCCS2)C(C=C)=C1C
InChIInChI=1S/C14H18S3/c1-4-8-15-13-6-7-14(16-9-10-17-14)12(5-2)11(13)3/h1,5,13H,2,6-10H2,3H3
InChIKeyOTEFYEAUXSHPLE-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The IUPAC name of 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene (CID 10265817) is 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene is C#CCSC1CCC2(SCCS2)C(C=C)=C1C.
What is the InChIKey of 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The InChIKey is OTEFYEAUXSHPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S3/c1-4-8-15-13-6-7-14(16-9-10-17-14)12(5-2)11(13)3/h1,5,13H,2,6-10H2,3H3.
What are the key properties of 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene has a molecular weight of 282.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10265817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).