3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide

C10H16OS — CID 10749998

IUPAC3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide
SMILESCC(C)=CCCC1=CCS(=O)C1
InChIInChI=1S/C10H16OS/c1-9(2)4-3-5-10-6-7-12(11)8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyQSTPEMPZTSYXQL-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.42
Rot. Bonds3

About 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide

3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide (PubChem CID 10749998) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide.

Molecular Properties

Compound Name3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide
PubChem CID10749998
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide
SMILESCC(C)=CCCC1=CCS(=O)C1
InChIInChI=1S/C10H16OS/c1-9(2)4-3-5-10-6-7-12(11)8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyQSTPEMPZTSYXQL-UHFFFAOYSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide?
The IUPAC name of 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide (CID 10749998) is 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide.
What is the SMILES notation for 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide?
The canonical SMILES for 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide is CC(C)=CCCC1=CCS(=O)C1.
What is the InChIKey of 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide?
The InChIKey is QSTPEMPZTSYXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-9(2)4-3-5-10-6-7-12(11)8-10/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide?
3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide has a molecular weight of 184.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide is sourced from PubChem (CID 10749998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).