3-(4,4-dimethylhex-1-en-3-yl)thiophene

C12H18S — CID 146517196

IUPAC3-(4,4-dimethylhex-1-en-3-yl)thiophene
SMILESC=CC(c1ccsc1)C(C)(C)CC
InChIInChI=1S/C12H18S/c1-5-11(12(3,4)6-2)10-7-8-13-9-10/h5,7-9,11H,1,6H2,2-4H3
InChIKeyUGAOBUWGFXYAGT-UHFFFAOYSA-N
MW194.34 g/mol
LogP4.45
Rot. Bonds4

About 3-(4,4-dimethylhex-1-en-3-yl)thiophene

3-(4,4-dimethylhex-1-en-3-yl)thiophene (PubChem CID 146517196) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 3-(4,4-dimethylhex-1-en-3-yl)thiophene.

Molecular Properties

Compound Name3-(4,4-dimethylhex-1-en-3-yl)thiophene
PubChem CID146517196
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name3-(4,4-dimethylhex-1-en-3-yl)thiophene
SMILESC=CC(c1ccsc1)C(C)(C)CC
InChIInChI=1S/C12H18S/c1-5-11(12(3,4)6-2)10-7-8-13-9-10/h5,7-9,11H,1,6H2,2-4H3
InChIKeyUGAOBUWGFXYAGT-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.45
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

3-[(3S)-5,5-dimethylhex-1-en-3-yl]thiophene
CID 100973089
3-(3-ethyl-3-methylpentan-2-yl)thiophene
CID 139314791
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
CID 115920356
1-hydrazinyl-N,N,2-trimethyl-1-thiophen-3-ylbutan-2-amine
CID 105240466
N-ethyl-1-thiophen-3-ylbut-3-en-1-amine
CID 61380819
3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine
CID 63983723
(3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal
CID 102046723
3-thiophen-3-ylpent-1-en-3-ol
CID 130929664
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylhex-1-en-3-yl)thiophene?
The IUPAC name of 3-(4,4-dimethylhex-1-en-3-yl)thiophene (CID 146517196) is 3-(4,4-dimethylhex-1-en-3-yl)thiophene.
What is the SMILES notation for 3-(4,4-dimethylhex-1-en-3-yl)thiophene?
The canonical SMILES for 3-(4,4-dimethylhex-1-en-3-yl)thiophene is C=CC(c1ccsc1)C(C)(C)CC.
What is the InChIKey of 3-(4,4-dimethylhex-1-en-3-yl)thiophene?
The InChIKey is UGAOBUWGFXYAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S/c1-5-11(12(3,4)6-2)10-7-8-13-9-10/h5,7-9,11H,1,6H2,2-4H3.
What are the key properties of 3-(4,4-dimethylhex-1-en-3-yl)thiophene?
3-(4,4-dimethylhex-1-en-3-yl)thiophene has a molecular weight of 194.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylhex-1-en-3-yl)thiophene is sourced from PubChem (CID 146517196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).