5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane

C22H36S — CID 156799823

IUPAC5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane
SMILESC=Cc1c(C=C(C)C)c(C)cc2c1CCCC2C.CCC.CS
InChIInChI=1S/C18H24.C3H8.CH4S/c1-6-15-16-9-7-8-13(4)18(16)11-14(5)17(15)10-12(2)3;1-3-2;1-2/h6,10-11,13H,1,7-9H2,2-5H3;3H2,1-2H3;2H,1H3
InChIKeyBGFPCQIJPYXGBB-UHFFFAOYSA-N
MW332.60 g/mol
LogP7.46
Rot. Bonds2

About 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane

5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane (PubChem CID 156799823) has the molecular formula C22H36S and a molecular weight of 332.60 g/mol. Its IUPAC name is 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane.

Molecular Properties

Compound Name5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane
PubChem CID156799823
Molecular FormulaC22H36S
Molecular Weight332.60 g/mol
Exact Mass332.25
IUPAC Name5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane
SMILESC=Cc1c(C=C(C)C)c(C)cc2c1CCCC2C.CCC.CS
InChIInChI=1S/C18H24.C3H8.CH4S/c1-6-15-16-9-7-8-13(4)18(16)11-14(5)17(15)10-12(2)3;1-3-2;1-2/h6,10-11,13H,1,7-9H2,2-5H3;3H2,1-2H3;2H,1H3
InChIKeyBGFPCQIJPYXGBB-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-7-methyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene
CID 156799822
1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone
CID 101076430
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 57495738
1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
CID 55286395
bis(3-methyl-2-(2-methylprop-1-enyl)cyclohexene-1-carboxylic acid);zinc
CID 164850578
1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246462
ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene
CID 142400897
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
1,6-dimethyl-2,3-dihydro-1H-inden-5-ol
CID 71371609
1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene
CID 162687974
3-methylcyclohex-2-en-1-ol;propane
CID 142858327

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane?
The IUPAC name of 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane (CID 156799823) is 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane.
What is the SMILES notation for 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane?
The canonical SMILES for 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane is C=Cc1c(C=C(C)C)c(C)cc2c1CCCC2C.CCC.CS.
What is the InChIKey of 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane?
The InChIKey is BGFPCQIJPYXGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C3H8.CH4S/c1-6-15-16-9-7-8-13(4)18(16)11-14(5)17(15)10-12(2)3;1-3-2;1-2/h6,10-11,13H,1,7-9H2,2-5H3;3H2,1-2H3;2H,1H3.
What are the key properties of 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane?
5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane has a molecular weight of 332.60 g/mol, XLogP of 7.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane is sourced from PubChem (CID 156799823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).