methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane

C36H46OS2Si — CID 159442768

IUPACmethane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane
SMILESC.C=CCC1c2ccccc2CCc2sccc21.C=CC[Si](C)(C)C.OC1c2ccccc2CCc2sccc21
InChIInChI=1S/C16H16S.C13H12OS.C6H14Si.CH4/c1-2-5-14-13-7-4-3-6-12(13)8-9-16-15(14)10-11-17-16;14-13-10-4-2-1-3-9(10)5-6-12-11(13)7-8-15-12;1-5-6-7(2,3)4;/h2-4,6-7,10-11,14H,1,5,8-9H2;1-4,7-8,13-14H,5-6H2;5H,1,6H2,2-4H3;1H4
InChIKeyLSJNZPCGIYKAPY-UHFFFAOYSA-N
MW586.98 g/mol
LogP10.63
Rot. Bonds4

About methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane

methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane (PubChem CID 159442768) has the molecular formula C36H46OS2Si and a molecular weight of 586.98 g/mol. Its IUPAC name is methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane.

Molecular Properties

Compound Namemethane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane
PubChem CID159442768
Molecular FormulaC36H46OS2Si
Molecular Weight586.98 g/mol
Exact Mass586.28
IUPAC Namemethane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane
SMILESC.C=CCC1c2ccccc2CCc2sccc21.C=CC[Si](C)(C)C.OC1c2ccccc2CCc2sccc21
InChIInChI=1S/C16H16S.C13H12OS.C6H14Si.CH4/c1-2-5-14-13-7-4-3-6-12(13)8-9-16-15(14)10-11-17-16;14-13-10-4-2-1-3-9(10)5-6-12-11(13)7-8-15-12;1-5-6-7(2,3)4;/h2-4,6-7,10-11,14H,1,5,8-9H2;1-4,7-8,13-14H,5-6H2;5H,1,6H2,2-4H3;1H4
InChIKeyLSJNZPCGIYKAPY-UHFFFAOYSA-N
XLogP10.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.98
LogP ≤ 510.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane 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

1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylmethyl)piperazine
CID 13164420
1-methyl-4-[3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)propyl]piperazine
CID 163610270
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 129383765
(2S)-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol
CID 697616
(3aR,9bR)-1-propan-2-ylidene-3-prop-2-enyl-3a,4,5,9b-tetrahydro-2H-benzo[e]indole
CID 139188466
methyl 2-(2-hydroxy-6,11-dithiatricyclo[8.3.0.03,7]trideca-1(10),3(7),4,12-tetraen-5-yl)acetate
CID 70319043
(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
CID 92977551
2-(4-methylphenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 134951940
5-methyl-6-oxa-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),10,12-tetraen-2-ol
CID 67576488
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
CID 7009453

Frequently Asked Questions

What is the IUPAC name of methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane?
The IUPAC name of methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane (CID 159442768) is methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane.
What is the SMILES notation for methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane?
The canonical SMILES for methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane is C.C=CCC1c2ccccc2CCc2sccc21.C=CC[Si](C)(C)C.OC1c2ccccc2CCc2sccc21.
What is the InChIKey of methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane?
The InChIKey is LSJNZPCGIYKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S.C13H12OS.C6H14Si.CH4/c1-2-5-14-13-7-4-3-6-12(13)8-9-16-15(14)10-11-17-16;14-13-10-4-2-1-3-9(10)5-6-12-11(13)7-8-15-12;1-5-6-7(2,3)4;/h2-4,6-7,10-11,14H,1,5,8-9H2;1-4,7-8,13-14H,5-6H2;5H,1,6H2,2-4H3;1H4.
What are the key properties of methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane?
methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane has a molecular weight of 586.98 g/mol, XLogP of 10.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-prop-2-enyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene;6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol;trimethyl(prop-2-enyl)silane is sourced from PubChem (CID 159442768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).