methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate

C11H18O2S — CID 134932527

IUPACmethyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate
SMILESCOC(=O)C[C@@H]1C(C)=C(C)SC1(C)C
InChIInChI=1S/C11H18O2S/c1-7-8(2)14-11(3,4)9(7)6-10(12)13-5/h9H,6H2,1-5H3/t9-/m1/s1
InChIKeyVBNGGRUDCXHBDS-SECBINFHSA-N
MW214.33 g/mol
LogP2.98
Rot. Bonds2

About methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate

methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate (PubChem CID 134932527) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate
PubChem CID134932527
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Namemethyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate
SMILESCOC(=O)C[C@@H]1C(C)=C(C)SC1(C)C
InChIInChI=1S/C11H18O2S/c1-7-8(2)14-11(3,4)9(7)6-10(12)13-5/h9H,6H2,1-5H3/t9-/m1/s1
InChIKeyVBNGGRUDCXHBDS-SECBINFHSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydrothiophene-3-carboxylate
CID 134932526
methyl 2,2,4,5-tetramethyl-3H-thiophene-3-carboxylate
CID 163593749
Ethyl 3,4-dimethyl-6-propan-2-yl-2,5-dihydrothiopyran-6-carboxylate
CID 10538145

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate?
The IUPAC name of methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate (CID 134932527) is methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate?
The canonical SMILES for methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate is COC(=O)C[C@@H]1C(C)=C(C)SC1(C)C.
What is the InChIKey of methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate?
The InChIKey is VBNGGRUDCXHBDS-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O2S/c1-7-8(2)14-11(3,4)9(7)6-10(12)13-5/h9H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate?
methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate has a molecular weight of 214.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-2,2,4,5-tetramethyl-3H-thiophen-3-yl]acetate is sourced from PubChem (CID 134932527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).