3-(2-methyloctoxy)thiophene

C13H22OS — CID 160790132

IUPAC3-(2-methyloctoxy)thiophene
SMILESCCCCCCC(C)COc1ccsc1
InChIInChI=1S/C13H22OS/c1-3-4-5-6-7-12(2)10-14-13-8-9-15-11-13/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyKSCVOQZOTFERIT-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.73
Rot. Bonds8

About 3-(2-methyloctoxy)thiophene

3-(2-methyloctoxy)thiophene (PubChem CID 160790132) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 3-(2-methyloctoxy)thiophene.

Molecular Properties

Compound Name3-(2-methyloctoxy)thiophene
PubChem CID160790132
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name3-(2-methyloctoxy)thiophene
SMILESCCCCCCC(C)COc1ccsc1
InChIInChI=1S/C13H22OS/c1-3-4-5-6-7-12(2)10-14-13-8-9-15-11-13/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyKSCVOQZOTFERIT-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 54.73
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

2,6-dimethyldodecoxybenzene
CID 163303723
2,6-dimethyltetradecoxybenzene
CID 163303720
3-dodecan-6-ylthiophene
CID 129156957
3-tetracosan-12-ylthiophene
CID 175257846
2-[4-(2-methylundecoxy)phenyl]propanoic acid
CID 58795117
3,4-bis[(2S)-2-methyloctyl]thiophene;3,4-bis[(2R)-2-methyloctyl]thiophene
CID 158088922
2-[4-(2-methylheptoxy)phenyl]acetic acid
CID 54140493
3-(2-hexyldecyl)thiophene
CID 67456553
1-(6-chloro-2-methylhexoxy)-3-pentadecylbenzene
CID 54090557
6-bromododecane;3-bromothiophene
CID 174619505
3-(2,3-dimethyloctyl)thiophene
CID 22501098
1-thiophen-3-ylundecan-2-amine
CID 65427688

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloctoxy)thiophene?
The IUPAC name of 3-(2-methyloctoxy)thiophene (CID 160790132) is 3-(2-methyloctoxy)thiophene.
What is the SMILES notation for 3-(2-methyloctoxy)thiophene?
The canonical SMILES for 3-(2-methyloctoxy)thiophene is CCCCCCC(C)COc1ccsc1.
What is the InChIKey of 3-(2-methyloctoxy)thiophene?
The InChIKey is KSCVOQZOTFERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-3-4-5-6-7-12(2)10-14-13-8-9-15-11-13/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 3-(2-methyloctoxy)thiophene?
3-(2-methyloctoxy)thiophene has a molecular weight of 226.38 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloctoxy)thiophene is sourced from PubChem (CID 160790132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).