2-(3,3-dimethylheptyl)thiophene

C13H22S — CID 57210788

IUPAC2-(3,3-dimethylheptyl)thiophene
SMILESCCCCC(C)(C)CCc1cccs1
InChIInChI=1S/C13H22S/c1-4-5-9-13(2,3)10-8-12-7-6-11-14-12/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyZCYUKUCTLSRCSB-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.90
Rot. Bonds6

About 2-(3,3-dimethylheptyl)thiophene

2-(3,3-dimethylheptyl)thiophene (PubChem CID 57210788) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 2-(3,3-dimethylheptyl)thiophene.

Molecular Properties

Compound Name2-(3,3-dimethylheptyl)thiophene
PubChem CID57210788
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2-(3,3-dimethylheptyl)thiophene
SMILESCCCCC(C)(C)CCc1cccs1
InChIInChI=1S/C13H22S/c1-4-5-9-13(2,3)10-8-12-7-6-11-14-12/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyZCYUKUCTLSRCSB-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
methane;2-undecylthiophene
CID 175504380
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465
pentane;2-thiophen-2-ylethanol
CID 70273807
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
methyl 3,3-dimethyl-5-thiophen-2-ylpentanoate
CID 14256071
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
1-(2-methylheptan-2-yl)-3-(2-thiophen-2-ylethyl)thiourea
CID 87359790

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylheptyl)thiophene?
The IUPAC name of 2-(3,3-dimethylheptyl)thiophene (CID 57210788) is 2-(3,3-dimethylheptyl)thiophene.
What is the SMILES notation for 2-(3,3-dimethylheptyl)thiophene?
The canonical SMILES for 2-(3,3-dimethylheptyl)thiophene is CCCCC(C)(C)CCc1cccs1.
What is the InChIKey of 2-(3,3-dimethylheptyl)thiophene?
The InChIKey is ZCYUKUCTLSRCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S/c1-4-5-9-13(2,3)10-8-12-7-6-11-14-12/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(3,3-dimethylheptyl)thiophene?
2-(3,3-dimethylheptyl)thiophene has a molecular weight of 210.39 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylheptyl)thiophene is sourced from PubChem (CID 57210788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).