2-tetradecan-7-ylthiophene

C18H32S — CID 137450901

IUPAC2-tetradecan-7-ylthiophene
SMILESCCCCCCCC(CCCCCC)c1cccs1
InChIInChI=1S/C18H32S/c1-3-5-7-9-11-14-17(13-10-8-6-4-2)18-15-12-16-19-18/h12,15-17H,3-11,13-14H2,1-2H3
InChIKeyDORXOWUZQHJISP-UHFFFAOYSA-N
MW280.52 g/mol
LogP7.16
Rot. Bonds12

About 2-tetradecan-7-ylthiophene

2-tetradecan-7-ylthiophene (PubChem CID 137450901) has the molecular formula C18H32S and a molecular weight of 280.52 g/mol. Its IUPAC name is 2-tetradecan-7-ylthiophene.

Molecular Properties

Compound Name2-tetradecan-7-ylthiophene
PubChem CID137450901
Molecular FormulaC18H32S
Molecular Weight280.52 g/mol
Exact Mass280.22
IUPAC Name2-tetradecan-7-ylthiophene
SMILESCCCCCCCC(CCCCCC)c1cccs1
InChIInChI=1S/C18H32S/c1-3-5-7-9-11-14-17(13-10-8-6-4-2)18-15-12-16-19-18/h12,15-17H,3-11,13-14H2,1-2H3
InChIKeyDORXOWUZQHJISP-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.52
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-heptadecan-5-ylthiophene
CID 19734009
3-thiophen-2-yloctanoic acid
CID 57187162
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
2-(1-bromononyl)thiophene
CID 65427153
N',N'-diethyl-N-(2-thiophen-2-yloctadecyl)ethane-1,2-diamine
CID 70395290
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
methyl 2-thiophen-2-yloctanoate
CID 67745736
2-(1-thiophen-2-ylnonoxy)ethanol
CID 173348232
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135

Frequently Asked Questions

What is the IUPAC name of 2-tetradecan-7-ylthiophene?
The IUPAC name of 2-tetradecan-7-ylthiophene (CID 137450901) is 2-tetradecan-7-ylthiophene.
What is the SMILES notation for 2-tetradecan-7-ylthiophene?
The canonical SMILES for 2-tetradecan-7-ylthiophene is CCCCCCCC(CCCCCC)c1cccs1.
What is the InChIKey of 2-tetradecan-7-ylthiophene?
The InChIKey is DORXOWUZQHJISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32S/c1-3-5-7-9-11-14-17(13-10-8-6-4-2)18-15-12-16-19-18/h12,15-17H,3-11,13-14H2,1-2H3.
What are the key properties of 2-tetradecan-7-ylthiophene?
2-tetradecan-7-ylthiophene has a molecular weight of 280.52 g/mol, XLogP of 7.16, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecan-7-ylthiophene is sourced from PubChem (CID 137450901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).