6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol

C9H14OS — CID 156881994

IUPAC6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
SMILESC/C=C\C1=C(C)SCC(O)C1
InChIInChI=1S/C9H14OS/c1-3-4-8-5-9(10)6-11-7(8)2/h3-4,9-10H,5-6H2,1-2H3/b4-3-
InChIKeyQRDXYCFAJHXPMM-ARJAWSKDSA-N
MW170.28 g/mol
LogP2.33
Rot. Bonds1

About 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol

6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol (PubChem CID 156881994) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol.

Molecular Properties

Compound Name6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
PubChem CID156881994
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
SMILESC/C=C\C1=C(C)SCC(O)C1
InChIInChI=1S/C9H14OS/c1-3-4-8-5-9(10)6-11-7(8)2/h3-4,9-10H,5-6H2,1-2H3/b4-3-
InChIKeyQRDXYCFAJHXPMM-ARJAWSKDSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol?
The IUPAC name of 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol (CID 156881994) is 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol.
What is the SMILES notation for 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol?
The canonical SMILES for 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol is C/C=C\C1=C(C)SCC(O)C1.
What is the InChIKey of 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol?
The InChIKey is QRDXYCFAJHXPMM-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H14OS/c1-3-4-8-5-9(10)6-11-7(8)2/h3-4,9-10H,5-6H2,1-2H3/b4-3-.
What are the key properties of 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol?
6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol has a molecular weight of 170.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol is sourced from PubChem (CID 156881994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).