3-hexyl-2-methyl-2,3-dihydrothiophene

C11H20S — CID 153071106

IUPAC3-hexyl-2-methyl-2,3-dihydrothiophene
SMILESCCCCCCC1C=CSC1C
InChIInChI=1S/C11H20S/c1-3-4-5-6-7-11-8-9-12-10(11)2/h8-11H,3-7H2,1-2H3
InChIKeyVLJCBRLNZQFRLL-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.22
Rot. Bonds5

About 3-hexyl-2-methyl-2,3-dihydrothiophene

3-hexyl-2-methyl-2,3-dihydrothiophene (PubChem CID 153071106) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 3-hexyl-2-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-hexyl-2-methyl-2,3-dihydrothiophene
PubChem CID153071106
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name3-hexyl-2-methyl-2,3-dihydrothiophene
SMILESCCCCCCC1C=CSC1C
InChIInChI=1S/C11H20S/c1-3-4-5-6-7-11-8-9-12-10(11)2/h8-11H,3-7H2,1-2H3
InChIKeyVLJCBRLNZQFRLL-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 23466487
9-(2-Methylpropylsulfanyl)non-1-ene
CID 23466633
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
3-Ethyl-2-propyl-2,3-dihydrothiophene 1-oxide
CID 53933044
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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-methyl-2,3-dihydrothiophene?
The IUPAC name of 3-hexyl-2-methyl-2,3-dihydrothiophene (CID 153071106) is 3-hexyl-2-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-hexyl-2-methyl-2,3-dihydrothiophene?
The canonical SMILES for 3-hexyl-2-methyl-2,3-dihydrothiophene is CCCCCCC1C=CSC1C.
What is the InChIKey of 3-hexyl-2-methyl-2,3-dihydrothiophene?
The InChIKey is VLJCBRLNZQFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-4-5-6-7-11-8-9-12-10(11)2/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-hexyl-2-methyl-2,3-dihydrothiophene?
3-hexyl-2-methyl-2,3-dihydrothiophene has a molecular weight of 184.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 153071106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).