methane;2-undecylthiophene

C16H30S — CID 175504380

IUPACmethane;2-undecylthiophene
SMILESC.CCCCCCCCCCCc1cccs1
InChIInChI=1S/C15H26S.CH4/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15;/h11,13-14H,2-10,12H2,1H3;1H4
InChIKeyVOAOPRVSLKBGLU-UHFFFAOYSA-N
MW254.48 g/mol
LogP6.46
Rot. Bonds10

About methane;2-undecylthiophene

methane;2-undecylthiophene (PubChem CID 175504380) has the molecular formula C16H30S and a molecular weight of 254.48 g/mol. Its IUPAC name is methane;2-undecylthiophene.

Molecular Properties

Compound Namemethane;2-undecylthiophene
PubChem CID175504380
Molecular FormulaC16H30S
Molecular Weight254.48 g/mol
Exact Mass254.21
IUPAC Namemethane;2-undecylthiophene
SMILESC.CCCCCCCCCCCc1cccs1
InChIInChI=1S/C15H26S.CH4/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15;/h11,13-14H,2-10,12H2,1H3;1H4
InChIKeyVOAOPRVSLKBGLU-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.48
LogP ≤ 56.46
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

ethane;2-pentylthiophene
CID 143883800
2-(5-pentoxypentyl)thiophene
CID 91586139
2-butylthiophene;methanamine
CID 143080300
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
pentane;2-thiophen-2-ylethanol
CID 70273807
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
20-thiophen-2-ylicosane-1-thiol
CID 15444594
10-thiophen-2-yldecan-1-ol
CID 22992199
2-(5-chloropentyl)thiophene
CID 4912993

Frequently Asked Questions

What is the IUPAC name of methane;2-undecylthiophene?
The IUPAC name of methane;2-undecylthiophene (CID 175504380) is methane;2-undecylthiophene.
What is the SMILES notation for methane;2-undecylthiophene?
The canonical SMILES for methane;2-undecylthiophene is C.CCCCCCCCCCCc1cccs1.
What is the InChIKey of methane;2-undecylthiophene?
The InChIKey is VOAOPRVSLKBGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26S.CH4/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15;/h11,13-14H,2-10,12H2,1H3;1H4.
What are the key properties of methane;2-undecylthiophene?
methane;2-undecylthiophene has a molecular weight of 254.48 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-undecylthiophene is sourced from PubChem (CID 175504380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).