2-(pentoxymethyl)-2,3-dihydrothiophene

C10H18OS — CID 91517635

IUPAC2-(pentoxymethyl)-2,3-dihydrothiophene
SMILESCCCCCOCC1CC=CS1
InChIInChI=1S/C10H18OS/c1-2-3-4-7-11-9-10-6-5-8-12-10/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyHHQNKUBDNBZBJH-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds6

About 2-(pentoxymethyl)-2,3-dihydrothiophene

2-(pentoxymethyl)-2,3-dihydrothiophene (PubChem CID 91517635) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(pentoxymethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(pentoxymethyl)-2,3-dihydrothiophene
PubChem CID91517635
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-(pentoxymethyl)-2,3-dihydrothiophene
SMILESCCCCCOCC1CC=CS1
InChIInChI=1S/C10H18OS/c1-2-3-4-7-11-9-10-6-5-8-12-10/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyHHQNKUBDNBZBJH-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(pentoxymethyl)-2,3-dihydrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Butylsulfanyl-5-methoxypent-1-ene
CID 15262048
2-(3-Butenyl)-2-methyl-1,3-oxathiolane
CID 15938034
Bis(3-thia-4-nonenyl) ether
CID 85611346
4-Ethoxy-4-methylsulfanyloct-1-ene
CID 134872067
2-ethoxy-3,4-dihydro-2H-thiopyran
CID 18690614
2-(Methoxymethyl)-2,3-dihydrothiophene
CID 54203975
2-Propoxy-3-propyl-2,3-dihydrothiophene
CID 57105878
2-(2-Ethoxyethyl)-2,3-dihydrothiophene
CID 67866147
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene
CID 69235067
2-(methoxymethyl)-2-propyl-3H-thiophene
CID 70131569
2-(2-Methoxyethyl)-2,3-dihydrothiophene
CID 70265463
4-But-3-enyl-1,3-oxathiolane
CID 70453120

Frequently Asked Questions

What is the IUPAC name of 2-(pentoxymethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(pentoxymethyl)-2,3-dihydrothiophene (CID 91517635) is 2-(pentoxymethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(pentoxymethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(pentoxymethyl)-2,3-dihydrothiophene is CCCCCOCC1CC=CS1.
What is the InChIKey of 2-(pentoxymethyl)-2,3-dihydrothiophene?
The InChIKey is HHQNKUBDNBZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-4-7-11-9-10-6-5-8-12-10/h5,8,10H,2-4,6-7,9H2,1H3.
What are the key properties of 2-(pentoxymethyl)-2,3-dihydrothiophene?
2-(pentoxymethyl)-2,3-dihydrothiophene has a molecular weight of 186.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentoxymethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 91517635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).