2-(hexoxymethyl)thiophene

C11H18OS — CID 57182867

IUPAC2-(hexoxymethyl)thiophene
SMILESCCCCCCOCc1cccs1
InChIInChI=1S/C11H18OS/c1-2-3-4-5-8-12-10-11-7-6-9-13-11/h6-7,9H,2-5,8,10H2,1H3
InChIKeyKYDRIVBWMCINJA-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.85
Rot. Bonds7

About 2-(hexoxymethyl)thiophene

2-(hexoxymethyl)thiophene (PubChem CID 57182867) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(hexoxymethyl)thiophene.

Molecular Properties

Compound Name2-(hexoxymethyl)thiophene
PubChem CID57182867
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-(hexoxymethyl)thiophene
SMILESCCCCCCOCc1cccs1
InChIInChI=1S/C11H18OS/c1-2-3-4-5-8-12-10-11-7-6-9-13-11/h6-7,9H,2-5,8,10H2,1H3
InChIKeyKYDRIVBWMCINJA-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hexoxymethyl)thiophene 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

2-(5-pentoxypentyl)thiophene
CID 91586139
6-(thiophen-2-ylmethoxy)hexyl methanesulfonate
CID 15880665
6-(thiophen-2-ylmethoxy)hexan-2-one
CID 62033101
2-(ethoxymethyl)thiophene
CID 12699283
6-(thiophen-2-ylmethoxy)hexan-3-one
CID 106802084
5-(thiophen-2-ylmethoxy)pentan-2-one
CID 62033282
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
methane;2-undecylthiophene
CID 175504380
(2-methyl-3-thiophen-2-ylpropyl)-trioctadecoxysilane
CID 141094339
decyl 2-thiophen-2-ylacetate
CID 566129
thiophen-2-ylmethyl dodecanoate
CID 139970081
2-octoxythiophene
CID 66725658

Frequently Asked Questions

What is the IUPAC name of 2-(hexoxymethyl)thiophene?
The IUPAC name of 2-(hexoxymethyl)thiophene (CID 57182867) is 2-(hexoxymethyl)thiophene.
What is the SMILES notation for 2-(hexoxymethyl)thiophene?
The canonical SMILES for 2-(hexoxymethyl)thiophene is CCCCCCOCc1cccs1.
What is the InChIKey of 2-(hexoxymethyl)thiophene?
The InChIKey is KYDRIVBWMCINJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-3-4-5-8-12-10-11-7-6-9-13-11/h6-7,9H,2-5,8,10H2,1H3.
What are the key properties of 2-(hexoxymethyl)thiophene?
2-(hexoxymethyl)thiophene has a molecular weight of 198.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexoxymethyl)thiophene is sourced from PubChem (CID 57182867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).