9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene

C17H24S3 — CID 10426441

IUPAC9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene
SMILESC=C=CSC1C(C)=C(C=C)CC(C)(C)C12SCCCS2
InChIInChI=1S/C17H24S3/c1-6-9-18-15-13(3)14(7-2)12-16(4,5)17(15)19-10-8-11-20-17/h7,9,15H,1-2,8,10-12H2,3-5H3
InChIKeyLBNUNVFGQDBJAV-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.89
Rot. Bonds3

About 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene

9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene (PubChem CID 10426441) has the molecular formula C17H24S3 and a molecular weight of 324.58 g/mol. Its IUPAC name is 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene.

Molecular Properties

Compound Name9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene
PubChem CID10426441
Molecular FormulaC17H24S3
Molecular Weight324.58 g/mol
Exact Mass324.10
IUPAC Name9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene
SMILESC=C=CSC1C(C)=C(C=C)CC(C)(C)C12SCCCS2
InChIInChI=1S/C17H24S3/c1-6-9-18-15-13(3)14(7-2)12-16(4,5)17(15)19-10-8-11-20-17/h7,9,15H,1-2,8,10-12H2,3-5H3
InChIKeyLBNUNVFGQDBJAV-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene with MolForge

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Related Compounds

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2-(1,4,4-Trimethylcyclohex-2-enyl)[1,3]dithiane
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2-(4,4-Dimethyl-cyclohex-2-enylidene)-[1,3]dithiane
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2-[1-Methyl-2-(2,6,6-trimethylcyclohex-2-enyl)vinyl][1,3]dithiane
CID 5370865
2-[(1Z,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-1,3-dithiane
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CID 10402341
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-1,3-dithiane
CID 10926867
2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfanyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
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Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene?
The IUPAC name of 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene (CID 10426441) is 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene.
What is the SMILES notation for 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene?
The canonical SMILES for 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene is C=C=CSC1C(C)=C(C=C)CC(C)(C)C12SCCCS2.
What is the InChIKey of 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene?
The InChIKey is LBNUNVFGQDBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24S3/c1-6-9-18-15-13(3)14(7-2)12-16(4,5)17(15)19-10-8-11-20-17/h7,9,15H,1-2,8,10-12H2,3-5H3.
What are the key properties of 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene?
9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene has a molecular weight of 324.58 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene is sourced from PubChem (CID 10426441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).