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

C14H18S3 — CID 10446528

IUPAC6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESC=C=CSC1CCC2(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/h5,8,13H,1-2,6-7,9-10H2,3H3
InChIKeyINKLKLZOEQZHCH-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.86
Rot. Bonds3

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

6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene (PubChem CID 10446528) has the molecular formula C14H18S3 and a molecular weight of 282.50 g/mol. Its IUPAC name is 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
PubChem CID10446528
Molecular FormulaC14H18S3
Molecular Weight282.50 g/mol
Exact Mass282.06
IUPAC Name6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESC=C=CSC1CCC2(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/h5,8,13H,1-2,6-7,9-10H2,3H3
InChIKeyINKLKLZOEQZHCH-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-(3a,4,5,6,7,8,9,9a-Octahydrocycloocta[d][1,3]dithiol-2-ylidene)cyclohexa-2,4-diene-1-thione
CID 13001261
6-But-3-enyl-7-methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 53254729
6-Ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 10015873
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
S-(6-ethenyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl) ethanethioate
CID 10333459
9-Ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
CID 10334755
9-Ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
CID 10402341
2-[(2E)-6-methylundeca-2,4,5-trien-4-yl]-1,3-dithiane
CID 10588997
2-(Cyclopent-1-en-1-yl)-2-heptyl-1,3-dithiane
CID 71364618

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The IUPAC name of 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene (CID 10446528) is 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene is C=C=CSC1CCC2(SCCS2)C(C=C)=C1C.
What is the InChIKey of 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The InChIKey is INKLKLZOEQZHCH-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/h5,8,13H,1-2,6-7,9-10H2,3H3.
What are the key properties of 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene has a molecular weight of 282.50 g/mol, XLogP of 4.86, 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-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10446528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).