11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene

C14H18S3 — CID 10423928

IUPAC11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene
SMILESC#CCSC1C=C(C=C)C2(CC1)SCCCS2
InChIInChI=1S/C14H18S3/c1-3-8-15-13-6-7-14(12(4-2)11-13)16-9-5-10-17-14/h1,4,11,13H,2,5-10H2
InChIKeyQQJOYCBRZDIRFU-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.19
Rot. Bonds3

About 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene

11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene (PubChem CID 10423928) has the molecular formula C14H18S3 and a molecular weight of 282.50 g/mol. Its IUPAC name is 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene
PubChem CID10423928
Molecular FormulaC14H18S3
Molecular Weight282.50 g/mol
Exact Mass282.06
IUPAC Name11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene
SMILESC#CCSC1C=C(C=C)C2(CC1)SCCCS2
InChIInChI=1S/C14H18S3/c1-3-8-15-13-6-7-14(12(4-2)11-13)16-9-5-10-17-14/h1,4,11,13H,2,5-10H2
InChIKeyQQJOYCBRZDIRFU-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 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene?
The IUPAC name of 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene (CID 10423928) is 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene.
What is the SMILES notation for 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene?
The canonical SMILES for 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene is C#CCSC1C=C(C=C)C2(CC1)SCCCS2.
What is the InChIKey of 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene?
The InChIKey is QQJOYCBRZDIRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S3/c1-3-8-15-13-6-7-14(12(4-2)11-13)16-9-5-10-17-14/h1,4,11,13H,2,5-10H2.
What are the key properties of 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene?
11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-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 11-ethenyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene is sourced from PubChem (CID 10423928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).