3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene

C15H26OS — CID 163535841

IUPAC3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene
SMILESCCCCOCc1cc(C(C)C)sc1C(C)C
InChIInChI=1S/C15H26OS/c1-6-7-8-16-10-13-9-14(11(2)3)17-15(13)12(4)5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyDWWOXDJZWIYLMT-UHFFFAOYSA-N
MW254.44 g/mol
LogP5.31
Rot. Bonds7

About 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene

3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene (PubChem CID 163535841) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene
PubChem CID163535841
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene
SMILESCCCCOCc1cc(C(C)C)sc1C(C)C
InChIInChI=1S/C15H26OS/c1-6-7-8-16-10-13-9-14(11(2)3)17-15(13)12(4)5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyDWWOXDJZWIYLMT-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.44
LogP ≤ 55.31
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

4,8-dibutoxy-2,6-di(propan-2-yl)thieno[2,3-f][1]benzothiole
CID 176856993
2-bromo-4-(butoxymethyl)thiophene
CID 123709365
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
5-(butoxymethyl)-1,2,3-trifluorobenzene
CID 91719120
[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
CID 80729173
1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
CID 91406926
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
butoxymethylbenzene;ethane
CID 145341806
1-butoxybutane;propan-2-ol;1,3,5-trimethylbenzene
CID 67628315
lithium;butoxymethylbenzene;hydride
CID 175482454
1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391

Frequently Asked Questions

What is the IUPAC name of 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene?
The IUPAC name of 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene (CID 163535841) is 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene is CCCCOCc1cc(C(C)C)sc1C(C)C.
What is the InChIKey of 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene?
The InChIKey is DWWOXDJZWIYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-6-7-8-16-10-13-9-14(11(2)3)17-15(13)12(4)5/h9,11-12H,6-8,10H2,1-5H3.
What are the key properties of 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene?
3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene has a molecular weight of 254.44 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 163535841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).