2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene

C18H28S — CID 142075092

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene
SMILESC=C1SC(C)(C/C=C(\C)CCC=C(C)C)C(C)=C1C
InChIInChI=1S/C18H28S/c1-13(2)9-8-10-14(3)11-12-18(7)16(5)15(4)17(6)19-18/h9,11H,6,8,10,12H2,1-5,7H3/b14-11+
InChIKeyFEOXHYRKRHVWDV-SDNWHVSQSA-N
MW276.49 g/mol
LogP6.42
Rot. Bonds5

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene (PubChem CID 142075092) has the molecular formula C18H28S and a molecular weight of 276.49 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene
PubChem CID142075092
Molecular FormulaC18H28S
Molecular Weight276.49 g/mol
Exact Mass276.19
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene
SMILESC=C1SC(C)(C/C=C(\C)CCC=C(C)C)C(C)=C1C
InChIInChI=1S/C18H28S/c1-13(2)9-8-10-14(3)11-12-18(7)16(5)15(4)17(6)19-18/h9,11H,6,8,10,12H2,1-5,7H3/b14-11+
InChIKeyFEOXHYRKRHVWDV-SDNWHVSQSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.49
LogP ≤ 56.42
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

(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
CID 145203819
(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
CID 145203831
Furfuryl pentyl sulfide
CID 528329
2-ethyl-3,4-dimethyl-3aH-cyclopenta[b]thiophene
CID 17911752
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)sulfanylcyclohexa-1,3-diene
CID 59392094
3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene
CID 67251212
3-Ethyl-2,5-dimethylidenethiophene
CID 68191138
6-Tert-butylsulfanyl-6-(cyclopenta-1,3-dien-1-ylmethyl)-1,3-dimethylcyclohexa-1,3-diene
CID 70015880
(2E,6E,8E,10E)-12-[(3E,5E,7E,11E)-2,3-dimethyltrideca-3,5,7,11-tetraen-2-yl]sulfanyl-11,12-dimethyltrideca-2,6,8,10-tetraene
CID 88197161
(3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene
CID 89016438
(2Z,4E,6Z)-3,6,8-trimethyl-4-(2,4,4-trimethylpent-2-en-3-ylsulfanyl)deca-2,4,6-triene
CID 89263790
5-[(5E)-6,7-dimethylocta-1,5-dien-3-yl]-2-ethenyl-3-methylidenethiophene
CID 89263798

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene (CID 142075092) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene is C=C1SC(C)(C/C=C(\C)CCC=C(C)C)C(C)=C1C.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene?
The InChIKey is FEOXHYRKRHVWDV-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H28S/c1-13(2)9-8-10-14(3)11-12-18(7)16(5)15(4)17(6)19-18/h9,11H,6,8,10,12H2,1-5,7H3/b14-11+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene has a molecular weight of 276.49 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene is sourced from PubChem (CID 142075092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).