9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene

C15H20S3 — CID 10402341

IUPAC9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
SMILESC=C=CSC1C(C)=C(C=C)CCC12SCCCS2
InChIInChI=1S/C15H20S3/c1-4-9-16-14-12(3)13(5-2)7-8-15(14)17-10-6-11-18-15/h5,9,14H,1-2,6-8,10-11H2,3H3
InChIKeyQZRYAFQCNXQFCU-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.25
Rot. Bonds3

About 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene

9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene (PubChem CID 10402341) has the molecular formula C15H20S3 and a molecular weight of 296.53 g/mol. Its IUPAC name is 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
PubChem CID10402341
Molecular FormulaC15H20S3
Molecular Weight296.53 g/mol
Exact Mass296.07
IUPAC Name9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
SMILESC=C=CSC1C(C)=C(C=C)CCC12SCCCS2
InChIInChI=1S/C15H20S3/c1-4-9-16-14-12(3)13(5-2)7-8-15(14)17-10-6-11-18-15/h5,9,14H,1-2,6-8,10-11H2,3H3
InChIKeyQZRYAFQCNXQFCU-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene with MolForge

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Related Compounds

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S-(11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-yl) ethanethioate
CID 9994184
1-Ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene
CID 10035490
11-Ethenyl-10-methyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene
CID 10040247
9-Ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
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Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene?
The IUPAC name of 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene (CID 10402341) is 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene.
What is the SMILES notation for 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene?
The canonical SMILES for 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene is C=C=CSC1C(C)=C(C=C)CCC12SCCCS2.
What is the InChIKey of 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene?
The InChIKey is QZRYAFQCNXQFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S3/c1-4-9-16-14-12(3)13(5-2)7-8-15(14)17-10-6-11-18-15/h5,9,14H,1-2,6-8,10-11H2,3H3.
What are the key properties of 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene?
9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene has a molecular weight of 296.53 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene is sourced from PubChem (CID 10402341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).