3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene

C11H16S — CID 89017639

IUPAC3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene
SMILESCC1CCC=CC1C1C=CSC1
InChIInChI=1S/C11H16S/c1-9-4-2-3-5-11(9)10-6-7-12-8-10/h3,5-7,9-11H,2,4,8H2,1H3
InChIKeyDDHIKTQAAGKMMV-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.47
Rot. Bonds1

About 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene

3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene (PubChem CID 89017639) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene
PubChem CID89017639
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene
SMILESCC1CCC=CC1C1C=CSC1
InChIInChI=1S/C11H16S/c1-9-4-2-3-5-11(9)10-6-7-12-8-10/h3,5-7,9-11H,2,4,8H2,1H3
InChIKeyDDHIKTQAAGKMMV-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene?
The IUPAC name of 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene (CID 89017639) is 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene?
The canonical SMILES for 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene is CC1CCC=CC1C1C=CSC1.
What is the InChIKey of 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene?
The InChIKey is DDHIKTQAAGKMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-9-4-2-3-5-11(9)10-6-7-12-8-10/h3,5-7,9-11H,2,4,8H2,1H3.
What are the key properties of 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene?
3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene has a molecular weight of 180.32 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylcyclohex-2-en-1-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 89017639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).