ethane;3-(4-methylpent-4-enyl)thiophene

C12H20S — CID 145466682

IUPACethane;3-(4-methylpent-4-enyl)thiophene
SMILESC=C(C)CCCc1ccsc1.CC
InChIInChI=1S/C10H14S.C2H6/c1-9(2)4-3-5-10-6-7-11-8-10;1-2/h6-8H,1,3-5H2,2H3;1-2H3
InChIKeyIWKAHSRQAAJXFK-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.67
Rot. Bonds4

About ethane;3-(4-methylpent-4-enyl)thiophene

ethane;3-(4-methylpent-4-enyl)thiophene (PubChem CID 145466682) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is ethane;3-(4-methylpent-4-enyl)thiophene.

Molecular Properties

Compound Nameethane;3-(4-methylpent-4-enyl)thiophene
PubChem CID145466682
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Nameethane;3-(4-methylpent-4-enyl)thiophene
SMILESC=C(C)CCCc1ccsc1.CC
InChIInChI=1S/C10H14S.C2H6/c1-9(2)4-3-5-10-6-7-11-8-10;1-2/h6-8H,1,3-5H2,2H3;1-2H3
InChIKeyIWKAHSRQAAJXFK-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-thiophen-3-ylbutanoate
CID 86324435
3-(3-methylidenepentyl)thiophene
CID 143047550
4-thiophen-3-ylbutan-1-ol
CID 54222621
3-(6-bromohexyl)thiophene
CID 11447992
12-thiophen-3-yldodecan-1-ol
CID 67533520
3-heptylthiophene;3-hexylthiophene
CID 159152668
5-thiophen-3-ylpentanamide
CID 11171370
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
6-thiophen-3-ylhexanoic acid
CID 24722734
azane;3-propylthiophene
CID 174446539
12-thiophen-3-yldodecane-1-thiol
CID 71363861
2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 59609658

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methylpent-4-enyl)thiophene?
The IUPAC name of ethane;3-(4-methylpent-4-enyl)thiophene (CID 145466682) is ethane;3-(4-methylpent-4-enyl)thiophene.
What is the SMILES notation for ethane;3-(4-methylpent-4-enyl)thiophene?
The canonical SMILES for ethane;3-(4-methylpent-4-enyl)thiophene is C=C(C)CCCc1ccsc1.CC.
What is the InChIKey of ethane;3-(4-methylpent-4-enyl)thiophene?
The InChIKey is IWKAHSRQAAJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.C2H6/c1-9(2)4-3-5-10-6-7-11-8-10;1-2/h6-8H,1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;3-(4-methylpent-4-enyl)thiophene?
ethane;3-(4-methylpent-4-enyl)thiophene has a molecular weight of 196.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methylpent-4-enyl)thiophene is sourced from PubChem (CID 145466682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).