2-[1-(deuteriomethoxy)hexyl]thiophene

C11H18OS — CID 162513207

IUPAC2-[1-(deuteriomethoxy)hexyl]thiophene
SMILES[2H]COC(CCCCC)c1cccs1
InChIInChI=1S/C11H18OS/c1-3-4-5-7-10(12-2)11-8-6-9-13-11/h6,8-10H,3-5,7H2,1-2H3/i2D
InChIKeyZQAUHJYECVCGOM-VMNATFBRSA-N
MW199.34 g/mol
LogP4.02
Rot. Bonds7

About 2-[1-(deuteriomethoxy)hexyl]thiophene

2-[1-(deuteriomethoxy)hexyl]thiophene (PubChem CID 162513207) has the molecular formula C11H18OS and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[1-(deuteriomethoxy)hexyl]thiophene.

Molecular Properties

Compound Name2-[1-(deuteriomethoxy)hexyl]thiophene
PubChem CID162513207
Molecular FormulaC11H18OS
Molecular Weight199.34 g/mol
Exact Mass199.11
IUPAC Name2-[1-(deuteriomethoxy)hexyl]thiophene
SMILES[2H]COC(CCCCC)c1cccs1
InChIInChI=1S/C11H18OS/c1-3-4-5-7-10(12-2)11-8-6-9-13-11/h6,8-10H,3-5,7H2,1-2H3/i2D
InChIKeyZQAUHJYECVCGOM-VMNATFBRSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-thiophen-2-ylnonoxy)ethanol
CID 173348232
2-tetradecan-7-ylthiophene
CID 137450901
2-heptadecan-5-ylthiophene
CID 19734009
(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane
CID 11464479
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
2-(1-bromononyl)thiophene
CID 65427153
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
methyl 2-thiophen-2-yloctanoate
CID 67745736
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
CID 63448004
1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine
CID 55020955
1-(thionin-2-yl)nonane-1,4-diol
CID 175393813

Frequently Asked Questions

What is the IUPAC name of 2-[1-(deuteriomethoxy)hexyl]thiophene?
The IUPAC name of 2-[1-(deuteriomethoxy)hexyl]thiophene (CID 162513207) is 2-[1-(deuteriomethoxy)hexyl]thiophene.
What is the SMILES notation for 2-[1-(deuteriomethoxy)hexyl]thiophene?
The canonical SMILES for 2-[1-(deuteriomethoxy)hexyl]thiophene is [2H]COC(CCCCC)c1cccs1.
What is the InChIKey of 2-[1-(deuteriomethoxy)hexyl]thiophene?
The InChIKey is ZQAUHJYECVCGOM-VMNATFBRSA-N. The full InChI is InChI=1S/C11H18OS/c1-3-4-5-7-10(12-2)11-8-6-9-13-11/h6,8-10H,3-5,7H2,1-2H3/i2D.
What are the key properties of 2-[1-(deuteriomethoxy)hexyl]thiophene?
2-[1-(deuteriomethoxy)hexyl]thiophene has a molecular weight of 199.34 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(deuteriomethoxy)hexyl]thiophene is sourced from PubChem (CID 162513207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).