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

C20H32S — CID 142075098

IUPAC2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene
SMILESC=C1SC(C)(C/C=C(\C)CC/C=C(\C)CCC)C(C)=C1C
InChIInChI=1S/C20H32S/c1-8-10-15(2)11-9-12-16(3)13-14-20(7)18(5)17(4)19(6)21-20/h11,13H,6,8-10,12,14H2,1-5,7H3/b15-11+,16-13+
InChIKeyYEPXSIBHPTXSFV-NWFDBUFXSA-N
MW304.54 g/mol
LogP7.20
Rot. Bonds7

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

2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene (PubChem CID 142075098) has the molecular formula C20H32S and a molecular weight of 304.54 g/mol. Its IUPAC name is 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene.

Molecular Properties

Compound Name2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene
PubChem CID142075098
Molecular FormulaC20H32S
Molecular Weight304.54 g/mol
Exact Mass304.22
IUPAC Name2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene
SMILESC=C1SC(C)(C/C=C(\C)CC/C=C(\C)CCC)C(C)=C1C
InChIInChI=1S/C20H32S/c1-8-10-15(2)11-9-12-16(3)13-14-20(7)18(5)17(4)19(6)21-20/h11,13H,6,8-10,12,14H2,1-5,7H3/b15-11+,16-13+
InChIKeyYEPXSIBHPTXSFV-NWFDBUFXSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.54
LogP ≤ 57.20
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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3-(3,7-Dimethylocta-1,6-dien-3-ylsulfanyl)-3,7-dimethylocta-1,6-diene
CID 87473387
(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
(2Z,4E,6Z)-3,6,8-trimethyl-4-(2,4,4-trimethylpent-2-en-3-ylsulfanyl)deca-2,4,6-triene
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CID 90807804
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3,7,8-Trimethyl-4-(2-methylbut-1-enylsulfanyl)deca-2,4,6-triene
CID 91121113
3-(2-Methylbut-2-enyl)-2-(2-methylprop-1-enyl)-5,6-dihydro-1-benzothiophene
CID 91401368
5-(3-Ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene
CID 123439286
2-Ethylidene-4,5-bis(prop-1-enyl)-3-prop-2-enylidenethiophene
CID 123767942
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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene?
The IUPAC name of 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene (CID 142075098) is 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene.
What is the SMILES notation for 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene?
The canonical SMILES for 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene is C=C1SC(C)(C/C=C(\C)CC/C=C(\C)CCC)C(C)=C1C.
What is the InChIKey of 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene?
The InChIKey is YEPXSIBHPTXSFV-NWFDBUFXSA-N. The full InChI is InChI=1S/C20H32S/c1-8-10-15(2)11-9-12-16(3)13-14-20(7)18(5)17(4)19(6)21-20/h11,13H,6,8-10,12,14H2,1-5,7H3/b15-11+,16-13+.
What are the key properties of 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene?
2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene has a molecular weight of 304.54 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6E)-3,7-dimethyldeca-2,6-dienyl]-2,3,4-trimethyl-5-methylidenethiophene is sourced from PubChem (CID 142075098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).