4-methoxy-1-thiophen-2-ylpentan-1-one

C10H14O2S — CID 105081586

IUPAC4-methoxy-1-thiophen-2-ylpentan-1-one
SMILESCOC(C)CCC(=O)c1cccs1
InChIInChI=1S/C10H14O2S/c1-8(12-2)5-6-9(11)10-4-3-7-13-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeySJUKBVWUFBNDLS-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.75
Rot. Bonds5

About 4-methoxy-1-thiophen-2-ylpentan-1-one

4-methoxy-1-thiophen-2-ylpentan-1-one (PubChem CID 105081586) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methoxy-1-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name4-methoxy-1-thiophen-2-ylpentan-1-one
PubChem CID105081586
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name4-methoxy-1-thiophen-2-ylpentan-1-one
SMILESCOC(C)CCC(=O)c1cccs1
InChIInChI=1S/C10H14O2S/c1-8(12-2)5-6-9(11)10-4-3-7-13-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeySJUKBVWUFBNDLS-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
(2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate
CID 175470777
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
CID 97240926
1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one
CID 105134620
4-(2-aminoethyl)-5,5-dimethyl-1-thiophen-2-ylhexan-1-one
CID 116578558
methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
CID 2064474
1-thiophen-2-ylpropan-1-one
CID 26179
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869
2-propan-2-yloxyethyl 4-oxo-4-thiophen-2-ylbutanoate
CID 78790052

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-thiophen-2-ylpentan-1-one?
The IUPAC name of 4-methoxy-1-thiophen-2-ylpentan-1-one (CID 105081586) is 4-methoxy-1-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 4-methoxy-1-thiophen-2-ylpentan-1-one?
The canonical SMILES for 4-methoxy-1-thiophen-2-ylpentan-1-one is COC(C)CCC(=O)c1cccs1.
What is the InChIKey of 4-methoxy-1-thiophen-2-ylpentan-1-one?
The InChIKey is SJUKBVWUFBNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8(12-2)5-6-9(11)10-4-3-7-13-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-methoxy-1-thiophen-2-ylpentan-1-one?
4-methoxy-1-thiophen-2-ylpentan-1-one has a molecular weight of 198.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 105081586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).