[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol

C10H14OS — CID 89416457

IUPAC[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol
SMILESC=C/C=C\[C@H]1SC(CO)=CC1C
InChIInChI=1S/C10H14OS/c1-3-4-5-10-8(2)6-9(7-11)12-10/h3-6,8,10-11H,1,7H2,2H3/b5-4-/t8?,10-/m1/s1
InChIKeyCUCOQLKGJYQDGX-AZDKXLJASA-N
MW182.29 g/mol
LogP2.36
Rot. Bonds3

About [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol

[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol (PubChem CID 89416457) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol
PubChem CID89416457
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol
SMILESC=C/C=C\[C@H]1SC(CO)=CC1C
InChIInChI=1S/C10H14OS/c1-3-4-5-10-8(2)6-9(7-11)12-10/h3-6,8,10-11H,1,7H2,2H3/b5-4-/t8?,10-/m1/s1
InChIKeyCUCOQLKGJYQDGX-AZDKXLJASA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol?
The IUPAC name of [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol (CID 89416457) is [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol.
What is the SMILES notation for [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol?
The canonical SMILES for [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol is C=C/C=C\[C@H]1SC(CO)=CC1C.
What is the InChIKey of [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol?
The InChIKey is CUCOQLKGJYQDGX-AZDKXLJASA-N. The full InChI is InChI=1S/C10H14OS/c1-3-4-5-10-8(2)6-9(7-11)12-10/h3-6,8,10-11H,1,7H2,2H3/b5-4-/t8?,10-/m1/s1.
What are the key properties of [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol?
[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol has a molecular weight of 182.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol is sourced from PubChem (CID 89416457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).