3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene

C17H30S — CID 68521910

IUPAC3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene
SMILESC=C1C=C(CC(C)(C)CC(C)CC(C)(C)C)SC1
InChIInChI=1S/C17H30S/c1-13-8-15(18-12-13)11-17(6,7)10-14(2)9-16(3,4)5/h8,14H,1,9-12H2,2-7H3
InChIKeyOQQJVEUTRTZUHA-UHFFFAOYSA-N
MW266.49 g/mol
LogP6.05
Rot. Bonds5

About 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene

3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene (PubChem CID 68521910) has the molecular formula C17H30S and a molecular weight of 266.49 g/mol. Its IUPAC name is 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene.

Molecular Properties

Compound Name3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene
PubChem CID68521910
Molecular FormulaC17H30S
Molecular Weight266.49 g/mol
Exact Mass266.21
IUPAC Name3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene
SMILESC=C1C=C(CC(C)(C)CC(C)CC(C)(C)C)SC1
InChIInChI=1S/C17H30S/c1-13-8-15(18-12-13)11-17(6,7)10-14(2)9-16(3,4)5/h8,14H,1,9-12H2,2-7H3
InChIKeyOQQJVEUTRTZUHA-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
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Retinyl thio ether
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3,7,10,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
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12-Thiabicyclo[9.1.0]dodeca-3,7-diene, 3,7,10,10-tetramethyl-
CID 165352523
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1,3,3-trimethyl-2-[(E)-2-propylsulfanylethenyl]cyclohexene
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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene?
The IUPAC name of 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene (CID 68521910) is 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene.
What is the SMILES notation for 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene?
The canonical SMILES for 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene is C=C1C=C(CC(C)(C)CC(C)CC(C)(C)C)SC1.
What is the InChIKey of 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene?
The InChIKey is OQQJVEUTRTZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30S/c1-13-8-15(18-12-13)11-17(6,7)10-14(2)9-16(3,4)5/h8,14H,1,9-12H2,2-7H3.
What are the key properties of 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene?
3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene has a molecular weight of 266.49 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-(2,2,4,6,6-pentamethylheptyl)thiophene is sourced from PubChem (CID 68521910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).