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

C13H16S3 — CID 10015873

IUPAC6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESC#CCSC1C=C(C=C)C2(CC1)SCCS2
InChIInChI=1S/C13H16S3/c1-3-7-14-12-5-6-13(11(4-2)10-12)15-8-9-16-13/h1,4,10,12H,2,5-9H2
InChIKeyDTLBKLXSYINRLJ-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.80
Rot. Bonds3

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

6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene (PubChem CID 10015873) has the molecular formula C13H16S3 and a molecular weight of 268.47 g/mol. Its IUPAC name is 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
PubChem CID10015873
Molecular FormulaC13H16S3
Molecular Weight268.47 g/mol
Exact Mass268.04
IUPAC Name6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
SMILESC#CCSC1C=C(C=C)C2(CC1)SCCS2
InChIInChI=1S/C13H16S3/c1-3-7-14-12-5-6-13(11(4-2)10-12)15-8-9-16-13/h1,4,10,12H,2,5-9H2
InChIKeyDTLBKLXSYINRLJ-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(Pent-4-en-1-yl)-1,4-dithiaspiro[4.5]dec-6-ene
CID 132451981
6-But-3-enyl-7-methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 53254729
2-[(3E)-4-methylhexa-3,5-dienyl]-2-prop-2-ynyl-1,3-dithiane
CID 134890629
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
CID 10334755
6-Ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 10446528
6-Ethenyl-1,4-dithiaspiro[4.5]dec-6-ene-8-thiol
CID 10242975
6-Ethenyl-7-methyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 10265817
11-Ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene
CID 10423928

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The IUPAC name of 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene (CID 10015873) is 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene is C#CCSC1C=C(C=C)C2(CC1)SCCS2.
What is the InChIKey of 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
The InChIKey is DTLBKLXSYINRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S3/c1-3-7-14-12-5-6-13(11(4-2)10-12)15-8-9-16-13/h1,4,10,12H,2,5-9H2.
What are the key properties of 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene?
6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene has a molecular weight of 268.47 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10015873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).