(2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene

C10H18OS — CID 102177919

IUPAC(2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene
SMILESCOC[C@@H]1SC(C(C)C)C=C1C
InChIInChI=1S/C10H18OS/c1-7(2)9-5-8(3)10(12-9)6-11-4/h5,7,9-10H,6H2,1-4H3/t9?,10-/m0/s1
InChIKeyOAQDZPBNIKRVND-AXDSSHIGSA-N
MW186.32 g/mol
LogP2.72
Rot. Bonds3

About (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene

(2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene (PubChem CID 102177919) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene
PubChem CID102177919
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene
SMILESCOC[C@@H]1SC(C(C)C)C=C1C
InChIInChI=1S/C10H18OS/c1-7(2)9-5-8(3)10(12-9)6-11-4/h5,7,9-10H,6H2,1-4H3/t9?,10-/m0/s1
InChIKeyOAQDZPBNIKRVND-AXDSSHIGSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene?
The IUPAC name of (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene (CID 102177919) is (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene.
What is the SMILES notation for (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene?
The canonical SMILES for (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene is COC[C@@H]1SC(C(C)C)C=C1C.
What is the InChIKey of (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene?
The InChIKey is OAQDZPBNIKRVND-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H18OS/c1-7(2)9-5-8(3)10(12-9)6-11-4/h5,7,9-10H,6H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene?
(2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene has a molecular weight of 186.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene is sourced from PubChem (CID 102177919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).