2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene

C19H32S — CID 142075102

IUPAC2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene
SMILESC=C1SC(C)(CCC(C)(C)CCC=C(C)C)C(C)=C1C
InChIInChI=1S/C19H32S/c1-14(2)10-9-11-18(6,7)12-13-19(8)16(4)15(3)17(5)20-19/h10H,5,9,11-13H2,1-4,6-8H3
InChIKeyICBDKSWAUSHYJU-UHFFFAOYSA-N
MW292.53 g/mol
LogP6.89
Rot. Bonds6

About 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene

2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene (PubChem CID 142075102) has the molecular formula C19H32S and a molecular weight of 292.53 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene.

Molecular Properties

Compound Name2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene
PubChem CID142075102
Molecular FormulaC19H32S
Molecular Weight292.53 g/mol
Exact Mass292.22
IUPAC Name2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene
SMILESC=C1SC(C)(CCC(C)(C)CCC=C(C)C)C(C)=C1C
InChIInChI=1S/C19H32S/c1-14(2)10-9-11-18(6,7)12-13-19(8)16(4)15(3)17(5)20-19/h10H,5,9,11-13H2,1-4,6-8H3
InChIKeyICBDKSWAUSHYJU-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.53
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 6439784
(2E)-2-[(12Z)-14-fluoro-3,6,7,10-tetramethyl-2,11-dimethylidenepentadeca-12,14-dienylidene]-3-methylidene-5-propylthiophene
CID 145203830
2-(3,7-Dimethyl-9-methylsulfanylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 135572
5-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylcyclopenta-1,3-diene
CID 59671943
3-Methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene
CID 68521910
6-Tert-butylsulfanyl-6-(cyclopenta-1,3-dien-1-ylmethyl)-1,3-dimethylcyclohexa-1,3-diene
CID 70015880
1,3-Ditert-butyl-6-(cyclopenta-1,3-dien-1-ylmethyl)-6-ethylsulfanylcyclohexa-1,3-diene
CID 70017455
5-(3,7,11,15-Tetramethylhexadec-2-enylsulfanyl)cyclopenta-1,3-diene
CID 72354031
1,3-Ditert-butyl-6-tert-butylsulfanyl-6-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexa-1,3-diene;titanium(3+);dichloride
CID 87975781
1-Tert-butyl-6-tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylcyclohexa-1,3-diene;titanium(3+);dichloride
CID 87976420
1-Tert-butyl-6-tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)cyclohexa-1,3-diene;titanium(3+);dichloride
CID 87976764
1,3-Ditert-butyl-6-tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)cyclohexa-1,3-diene;titanium(3+);dichloride
CID 87977479

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene?
The IUPAC name of 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene (CID 142075102) is 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene.
What is the SMILES notation for 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene?
The canonical SMILES for 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene is C=C1SC(C)(CCC(C)(C)CCC=C(C)C)C(C)=C1C.
What is the InChIKey of 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene?
The InChIKey is ICBDKSWAUSHYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32S/c1-14(2)10-9-11-18(6,7)12-13-19(8)16(4)15(3)17(5)20-19/h10H,5,9,11-13H2,1-4,6-8H3.
What are the key properties of 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene?
2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene has a molecular weight of 292.53 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-methylidene-2-(3,3,7-trimethyloct-6-enyl)thiophene is sourced from PubChem (CID 142075102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).