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

C15H20S3 — CID 10334755

IUPAC9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
SMILESC#CCSC1C(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/h1,5,14H,2,6-11H2,3H3
InChIKeyYXRKIJDBGMLDTN-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.58
Rot. Bonds3

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

9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene (PubChem CID 10334755) has the molecular formula C15H20S3 and a molecular weight of 296.53 g/mol. Its IUPAC name is 9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
PubChem CID10334755
Molecular FormulaC15H20S3
Molecular Weight296.53 g/mol
Exact Mass296.07
IUPAC Name9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
SMILESC#CCSC1C(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/h1,5,14H,2,6-11H2,3H3
InChIKeyYXRKIJDBGMLDTN-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.58
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

2-(Cyclohexen-1-ylmethyl)-2-methyl-1,3-dithiane
CID 121013456
8-(4-Methylpent-4-en-1-yl)-1,5-dithiaspiro[5.5]undec-7-ene
CID 132452154
2-[(3E)-4-methylhexa-3,5-dienyl]-2-prop-2-ynyl-1,3-dithiane
CID 134890629
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
9-Ethenyl-8,11,11-trimethyl-7-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene
CID 10041959
9-Ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
CID 10402341
6-Ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 10446528
2-[(2E)-6-methylundeca-2,4,5-trien-4-yl]-1,3-dithiane
CID 10588997
10-Pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene
CID 177474425
10-Hex-4-ynyl-1,5-dithiaspiro[5.5]undec-10-ene
CID 177594074

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene?
The IUPAC name of 9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene (CID 10334755) is 9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene.
What is the SMILES notation for 9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene?
The canonical SMILES for 9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene is C#CCSC1C(C)=C(C=C)CCC12SCCCS2.
What is the InChIKey of 9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene?
The InChIKey is YXRKIJDBGMLDTN-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/h1,5,14H,2,6-11H2,3H3.
What are the key properties of 9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene?
9-ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene has a molecular weight of 296.53 g/mol, XLogP of 4.58, 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-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene is sourced from PubChem (CID 10334755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).