3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene

C10H16OS — CID 143663964

IUPAC3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene
SMILESCC1=CCOC1.CC1C=CCS1
InChIInChI=1S/C5H8O.C5H8S/c1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2H,3-4H2,1H3;2-3,5H,4H2,1H3
InChIKeyOZJLHMYEBOFUAE-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.64
Rot. Bonds

About 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene

3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene (PubChem CID 143663964) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene
PubChem CID143663964
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene
SMILESCC1=CCOC1.CC1C=CCS1
InChIInChI=1S/C5H8O.C5H8S/c1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2H,3-4H2,1H3;2-3,5H,4H2,1H3
InChIKeyOZJLHMYEBOFUAE-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethyl-1,5-heptadien-1-yl)-1,3-oxathiolane
CID 11310397
2-(1-Cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane
CID 10058472
2-(2,6-Dimethylhepta-1,5-dien-1-YL)-1,3-oxathiolane
CID 53423091
5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran
CID 130224435
(2E,5Z)-3-ethylsulfanyl-1-methoxyhepta-2,5-diene
CID 138723480
Ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran
CID 143730777
(2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene
CID 155188283
2-[(E)-pent-1-enyl]-1,3-oxathiolane
CID 12982360
(6E)-8-(2-ethylsulfanylethoxy)octa-1,6-diene
CID 13659450
(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene
CID 14364624
8-{2-[(Propan-2-yl)sulfanyl]ethoxy}octa-1,6-diene
CID 71335284
2-Methyl-2-(2-methylprop-1-enyl)-1,3-oxathiolane
CID 85825559

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene?
The IUPAC name of 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene (CID 143663964) is 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene.
What is the SMILES notation for 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene?
The canonical SMILES for 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene is CC1=CCOC1.CC1C=CCS1.
What is the InChIKey of 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene?
The InChIKey is OZJLHMYEBOFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C5H8S/c1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2H,3-4H2,1H3;2-3,5H,4H2,1H3.
What are the key properties of 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene?
3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene has a molecular weight of 184.30 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene is sourced from PubChem (CID 143663964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).